Geometry & MOs

Info

ID:	409245
PubChem CID:	135082025
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	1.47
IP(EA), eV:	-8.48(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC1=C(CC[C@@H](C1)C(C)(C)C)O

DOS

IR

Vibrations