Geometry & MOs

Info

ID:	385236
PubChem CID:	134978592
Reduced:	C13H16 (1)
Stoich.:	A13B16 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	23.4
Dipole, Da:	0.46
IP(EA), eV:	-8.81(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-5-tert-butyl-1,2,3,4,7,7a-hexahydroinden-3a-ol

Drug info:

PubChemData

Smile

CC#CCC1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations