Geometry & MOs

Info

ID:	195520
PubChem CID:	78695033
Reduced:	FON2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	286.148141
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	2.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.112852
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH2+]CC(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations