Geometry & MOs

Info

ID:	197661
PubChem CID:	78984680
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	286.148141
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	4.67
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)NC(=O)[C@@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations