Geometry & MOs

Info

ID:	258522
PubChem CID:	103154697
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	5.17
IP(EA), eV:	-8.43(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methyl-4-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC=C(C=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations