Geometry & MOs

Info

ID:	222694
PubChem CID:	85322065
Reduced:	NSO2C17H35 (1)
Stoich.:	ABC2D17E35 (1)
Weight, g/mol:	318.25588
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	3.68
IP(EA), eV:	-8.94(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5,7-trien-4-ol

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCCC1C(CS(=O)O1)N

DOS

IR

Vibrations