Geometry & MOs

Info

ID:	132111
PubChem CID:	51308723
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	-59.06
Dipole, Da:	3.57
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations