Geometry & MOs

Info

ID:	249610
PubChem CID:	103090812
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	3.3
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C/C1=CN=C(C=C1)OC)/C(=O)C

DOS

IR

Vibrations