Geometry & MOs

Info

ID:

121131

PubChem CID:

50756769

Reduced:

N3O4C26H31 (1)

Stoich.:

A3B4C26D31 (1)

Weight, g/mol:

433.236542

ΔHf, kcal/mol:

-102.3

Dipole, Da:

2.85

IP(EA), eV:

 -8.8(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2(CN3C4=C(C=C3C(=O)N2CC5=CC=C(C=C5)OC)OC=C4)C

DOS

IR

Vibrations