Geometry & MOs

Info

ID:	48370
PubChem CID:	10541204
Reduced:	O5C15H26 (1)
Stoich.:	A5B15C26 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-243.04
Dipole, Da:	3.5
IP(EA), eV:	-9.91(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-1-[(E)-2-(4-methoxyphenyl)ethenyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(C)(C)CCOC(C)C(=O)OCC

DOS

IR

Vibrations