Geometry & MOs

Info

ID:	337436
PubChem CID:	127257121
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	13.04
Dipole, Da:	3.95
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(cyclohexylmethylidene)-3-propyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

C1CCC(CC1)/C=C\2/C(=NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations