Geometry & MOs

Info

ID:	337435
PubChem CID:	127257120
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	4.19
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(cyclohexylmethylidene)-3-phenyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC\1=NNC(=O)/C1=C\C2CCCCC2

DOS

IR

Vibrations