Geometry & MOs

Info

ID:	337434
PubChem CID:	127257119
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	10.28
Dipole, Da:	3.62
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)/C=C\1/C(=NNC1=O)C2=CC=CC=C2

DOS

IR

Vibrations