Geometry & MOs

Info

ID:	337422
PubChem CID:	127257107
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	10.08
Dipole, Da:	3.75
IP(EA), eV:	-9.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations