Geometry & MOs

Info

ID:	337429
PubChem CID:	127257114
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	57.57
Dipole, Da:	4.27
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C=C/2\C(=NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations