Geometry & MOs

Info

ID:	257362
PubChem CID:	103145499
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	3.0
IP(EA), eV:	-8.12(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,5-dimethyl-4-nitrophenyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2CCCC2=O)C)N

DOS

IR

Vibrations