Geometry & MOs

Info

ID:	380339
PubChem CID:	134970753
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	6.47
IP(EA), eV:	-9.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1S)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CCC3=CC(=O)OC3

DOS

IR

Vibrations