Geometry & MOs

Info

ID:	249601
PubChem CID:	103090756
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	3.49
IP(EA), eV:	-9.06(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C(\C)/C(=O)C)C

DOS

IR

Vibrations