Geometry & MOs

Info

ID:	10331
PubChem CID:	100566
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	5.8
IP(EA), eV:	-10.07(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-nitrophenyl)-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C

DOS

IR

Vibrations