Geometry & MOs

Info

ID:	35979
PubChem CID:	7980592
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	6.19
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations