Geometry & MOs

Info

ID:	398084
PubChem CID:	135031667
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	360.23006
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	1.67
IP(EA), eV:	-9.17(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-2-[(2R)-5-methoxy-2,7-dimethyl-3,4-dihydrochromen-2-yl]ethyl]-3,3-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C/C=C\C/C(=C/2\[C@H]1CCC2)/C3=CC=CC=C3

DOS

IR

Vibrations