Geometry & MOs

Info

ID:

296752

PubChem CID:

117591397

Reduced:

N2O9C54H56 (1)

Stoich.:

A2B9C54D56 (1)

Weight, g/mol:

652.269749

ΔHf, kcal/mol:

-152.06

Dipole, Da:

6.3

IP(EA), eV:

 -7.9(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;sulfuric acid

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC.COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2

DOS

IR

Vibrations