Geometry & MOs

Info

ID:	258472
PubChem CID:	103154266
Reduced:	FN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	1.91
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations