Geometry & MOs

Info

ID:	64717
PubChem CID:	29203900
Reduced:	FO3N4C25H35 (1)
Stoich.:	AB3C4D25E35 (1)
Weight, g/mol:	404.177917
ΔH_f, kcal/mol:	-177.29
Dipole, Da:	4.93
IP(EA), eV:	-8.35(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations