Geometry & MOs

Info

ID:	389069
PubChem CID:	134991070
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	3.02
IP(EA), eV:	-9.73(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7S,7aR)-3a,5,6,7-tetramethyl-3,4,7,7a-tetrahydro-2H-inden-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C=CCC[C@@]1(C)C(=O)C

DOS

IR

Vibrations