Geometry & MOs

Info

ID:	258462
PubChem CID:	103154212
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	3.15
IP(EA), eV:	-8.84(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(4-methyl-3-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations