Geometry & MOs

Info

ID:	337441
PubChem CID:	127257126
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	4.7
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations