Geometry & MOs

Info

ID:	381247
PubChem CID:	134971922
Reduced:	OC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	432.20893
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	2.28
IP(EA), eV:	-9.67(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-5-[[(3R)-7-hydroxy-3-methyl-2,3-dihydro-1H-phenanthren-4-ylidene]methylidene]-6-methyl-7,8-dihydro-6H-phenanthren-2-ol

Drug info:

PubChemData

Smile

CCCCCC/C=C/[C@H](CC)CCO

DOS

IR

Vibrations