Geometry & MOs

Info

ID:	216521
PubChem CID:	85086360
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-63.28
Dipole, Da:	3.49
IP(EA), eV:	-8.64(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hydroxy-2,6-dimethyl-5-propan-2-ylhept-3-en-3-yl)phenol

Drug info:

PubChemData

Smile

CC(C)C1CCC2(C1C3CCCCC(=O)C3(C=C2)O)C

DOS

IR

Vibrations