Geometry & MOs

Info

ID:	56298
PubChem CID:	17425018
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	360.171689
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	2.88
IP(EA), eV:	-8.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CNC1=CC=CC2=C1CCCC2

DOS

IR

Vibrations