Geometry & MOs

Info

ID:	195841
PubChem CID:	78742351
Reduced:	OF3N3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	391.187147
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	31.49
IP(EA), eV:	-4.15(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-difluorophenyl)ethylamino]-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)[NH2+]CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations