Geometry & MOs

Info

ID:	160172
PubChem CID:	57304905
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	362.264107
ΔH_f, kcal/mol:	5.88
Dipole, Da:	1.69
IP(EA), eV:	-8.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7aR)-7a-methyl-1-[(2R)-1-[(1R,4S)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CC=C2)CS

DOS

IR

Vibrations