Geometry & MOs

Info

ID:	258463
PubChem CID:	103154225
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	8.16
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations