Geometry & MOs

Info

ID:	62967
PubChem CID:	26737825
Reduced:	FSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	380.085847
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	2.09
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichloro-5-fluorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations