Geometry & MOs

Info

ID:	258500
PubChem CID:	103154540
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	272.133634
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	6.01
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations