Geometry & MOs

Info

ID:	337427
PubChem CID:	127257112
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	4.7
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-methyl-4-(3-phenylpropylidene)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations