Geometry & MOs

Info

ID:	19447
PubChem CID:	564107
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	383.148121
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	4.82
IP(EA), eV:	-9.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)NC2CCCNC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

DOS

IR

Vibrations