Geometry & MOs

Info

ID:	195299
PubChem CID:	78670873
Reduced:	F2O2N3C21H26 (1)
Stoich.:	A2B2C3D21E26 (1)
Weight, g/mol:	389.191483
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124692
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations