Geometry & MOs

Info

ID:	214228
PubChem CID:	84974712
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	428.197904
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	2.1
IP(EA), eV:	-7.98(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-acetylphenyl)piperazin-1-yl]-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3CCC=C3

DOS

IR

Vibrations