Geometry & MOs

Info

ID:

146082

PubChem CID:

53633467

Reduced:

N2O3C27H34 (1)

Stoich.:

A2B3C27D34 (1)

Weight, g/mol:

1878.23154

ΔHf, kcal/mol:

-91.48

Dipole, Da:

5.9

IP(EA), eV:

 -8.77(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis(2-ethylhexyl) propanedioate;4-tert-butyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;dicyclohexyl benzene-1,2-dicarboxylate;2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate;octyl 3-[4-hydroxy-3-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenyl]propanoate;phosphorosooxycyclohexane

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H]1CN2CC[C@@H]1C3(C2C(C4=CC=CC=C4)C5=CC=CC=C5)OCCO3

DOS

IR

Vibrations