Geometry & MOs

Info

ID:	62779
PubChem CID:	26736757
Reduced:	ClOSN5H20C22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	384.115317
ΔH_f, kcal/mol:	78.76
Dipole, Da:	4.77
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CN3C4=CC=CC=C4N=C3C5=CSC=N5

DOS

IR

Vibrations