Geometry & MOs

Info

ID:	252272
PubChem CID:	103110205
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	2.16
IP(EA), eV:	-10.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C(=O)NCC#N

DOS

IR

Vibrations