Geometry & MOs

Info

ID:	27443
PubChem CID:	821362
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-176.47
Dipole, Da:	2.78
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aS,5R,6R,7aR)-3a,6-dihydroxy-7a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(C=C(C=C2O1)O)O)C

DOS

IR

Vibrations