Geometry & MOs

Info

ID:	337440
PubChem CID:	127257125
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	264.220164
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	4.49
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations