Geometry & MOs

Info

ID:	283278
PubChem CID:	103970859
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	3.56
IP(EA), eV:	-9.76(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,4-dimethylphenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(=O)C=C1CCC(CC1)(C)C

DOS

IR

Vibrations