Geometry & MOs

Info

ID:	337426
PubChem CID:	127257111
Reduced:	ON2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	4.66
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations