Geometry & MOs

Info

ID:	156897
PubChem CID:	56394846
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	350.099747
ΔH_f, kcal/mol:	-84.35
Dipole, Da:	5.2
IP(EA), eV:	-8.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2,3-difluorophenyl)methanone

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations