Geometry & MOs

Info

ID:	411605
PubChem CID:	135084437
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	1.36
IP(EA), eV:	-9.14(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S)-7,7-dimethyl-2-prop-2-ynylbicyclo[4.2.0]octan-2-ol

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)CCCCOO)C

DOS

IR

Vibrations