Geometry & MOs

Info

ID:	47891
PubChem CID:	10535755
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	3.02
IP(EA), eV:	-8.8(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S,5R,6S,7S)-5-(hydroxymethyl)-3-propan-2-ylidene-1-tetracyclo[3.2.0.02,7.04,6]heptanyl]methanol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCC[C@H]2CO

DOS

IR

Vibrations