Geometry & MOs

Info

ID:

396770

PubChem CID:

135029173

Reduced:

NO6C15H17 (1)

Stoich.:

AB6C15D17 (1)

Weight, g/mol:

540.281701

ΔHf, kcal/mol:

-151.12

Dipole, Da:

4.06

IP(EA), eV:

 -9.8(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7,10,16,19,23,26,32-octamethylnonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2(24),3,6,8(18),9,11,13(34),14,16,19,22,25,27,29(33),30-hexadecaene

Drug info:

PubChemData

Smile

CCOC(=O)C1([C@@H](C(=[N+](O1)[O-])CO)C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations