Geometry & MOs

Info

ID:	172583
PubChem CID:	75527301
Reduced:	ClOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	394.156039
ΔH_f, kcal/mol:	52.13
Dipole, Da:	3.53
IP(EA), eV:	-8.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NNC(=C2)C3=CC=C(C=C3)Cl)C(=O)C4=CSC=C4

DOS

IR

Vibrations