Geometry & MOs

Info

ID:

121128

PubChem CID:

50756745

Reduced:

N3O4C27H33 (1)

Stoich.:

A3B4C27D33 (1)

Weight, g/mol:

477.262757

ΔHf, kcal/mol:

-109.08

Dipole, Da:

3.25

IP(EA), eV:

 -8.79(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-methyl-N-(2-methylcyclohexyl)-9-oxo-10-[(4-propoxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCCC5C)C=CO4

DOS

IR

Vibrations