Geometry & MOs

Info

ID:	344560
PubChem CID:	127268144
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	2.45
IP(EA), eV:	-9.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations