Geometry & MOs

Info

ID:	155375
PubChem CID:	56352997
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	4.0
IP(EA), eV:	-8.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-(5-chloropyridin-2-yl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1CC(=NN1C2=CC=CC=C2)C(=O)N(C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations