Geometry & MOs

Info

ID:	249667
PubChem CID:	103091205
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	1.01
IP(EA), eV:	-8.44(0.38)
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-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations