Geometry & MOs

Info

ID:	337433
PubChem CID:	127257118
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	6.91
Dipole, Da:	5.19
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)/C=C/1\C(=NN(C1=O)C2=CC=CC=C2)C

DOS

IR

Vibrations