Geometry & MOs

Info

ID:	36139
PubChem CID:	7980808
Reduced:	NO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	8.85
IP(EA), eV:	-8.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations