Geometry & MOs

Info

ID:	142294
PubChem CID:	53011642
Reduced:	O3N7C24H25 (1)
Stoich.:	A3B7C24D25 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	21.44
Dipole, Da:	5.71
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-5-methyl-6-oxobenzo[b][1,4]benzoxazepine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N(N=N4)CCC(=O)N5CCCC5)NC(=O)C

DOS

IR

Vibrations