Geometry & MOs

Info

ID:	337425
PubChem CID:	127257110
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	14.49
Dipole, Da:	4.64
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-methyl-4-(2-methylbutylidene)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations