Geometry & MOs

Info

ID:	315540
PubChem CID:	126627525
Reduced:	N2O3C16H21 (2)
Stoich.:	A2B3C16D21 (2)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-174.56
Dipole, Da:	7.8
IP(EA), eV:	-8.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-[[4-methyl-3-(methylamino)phenyl]iminomethylideneamino]phenyl]-2-oxoazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C=O)C(=C1CC(=O)OC)N3CCC(CC3)(C)OC/C=C/COC4=CC=CC=C4CC(CNC)O

DOS

IR

Vibrations