Geometry & MOs

Info

ID:	337424
PubChem CID:	127257109
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-22.72
Dipole, Da:	4.59
IP(EA), eV:	-9.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC\1=NNC(=O)/C1=C/C(C)C

DOS

IR

Vibrations