Geometry & MOs

Info

ID:	385170
PubChem CID:	134978437
Reduced:	C9H11 (2)
Stoich.:	A9B11 (2)
Weight, g/mol:	238.172151
ΔH_f, kcal/mol:	48.13
Dipole, Da:	1.01
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-2,6,6-trimethyl-3-(2-phenylethynyl)bicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

CC1([C@@H]2CCC([C@H]1C2)CC#CC3=CC=CC=C3)C

DOS

IR

Vibrations