Geometry & MOs

Info

ID:	198953
PubChem CID:	79177357
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	1.27
IP(EA), eV:	-8.97(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methylphenyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

CC(=C)CC(C1=CC(=CC=C1)OC)O

DOS

IR

Vibrations