Geometry & MOs

Info

ID:	337431
PubChem CID:	127257116
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	52.39
Dipole, Da:	4.38
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4-tri(cyclohexen-1-yl)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC/C=C/2\C(=NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations