Geometry & MOs

Info

ID:	337430
PubChem CID:	127257115
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	52.34
Dipole, Da:	3.5
IP(EA), eV:	-9.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C=C\1/C(=NNC1=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations