Geometry & MOs

Info

ID:	252274
PubChem CID:	103110211
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	233.080041
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	2.49
IP(EA), eV:	-10.35(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2(CCCC2)C#N

DOS

IR

Vibrations