Geometry & MOs

Info

ID:

187246

PubChem CID:

77550110

Reduced:

Cl2O2N7C21H29 (1)

Stoich.:

A2B2C7D21E29 (1)

Weight, g/mol:

702.323799

ΔHf, kcal/mol:

-80.16

Dipole, Da:

7.34

IP(EA), eV:

 -8.99(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-5-[3-(6-nitrooxyhexanoyloxy)propoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2(CCC1CNC3=NC=C(C=C3)C4=NC=CC=N4)CN(C(=O)O2)C5CNNC5.Cl.Cl

DOS

IR

Vibrations