Geometry & MOs

Info

ID:	19443
PubChem CID:	564080
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	3.98
IP(EA), eV:	-9.69(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-nitro-N-(2-oxopyrrolidin-3-yl)-3-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)NC2CCNC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

DOS

IR

Vibrations