Geometry & MOs

Info

ID:	337421
PubChem CID:	127257106
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	14.49
Dipole, Da:	3.78
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(2-methylpentylidene)-3-phenyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations