Geometry & MOs

Info

ID:	28068
PubChem CID:	825370
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	5.95
IP(EA), eV:	-5.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,8R)-1-(hydroxymethyl)-4,4,8,10,10-pentamethyl-3-tricyclo[6.3.1.02,6]dodec-2(6)-enyl]methanol

Drug info:

PubChemData

Smile

C[C@]12CC3=C([C@H](C(C3)(C)C)CO)[C@@](C1)(CC(C2)(C)C)CO

DOS

IR

Vibrations