Geometry & MOs

Info

ID:	337428
PubChem CID:	127257113
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	18.27
Dipole, Da:	4.43
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-phenyl-4-(2-phenylethylidene)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC\1=NNC(=O)/C1=C/CCC2=CC=CC=C2

DOS

IR

Vibrations