Geometry & MOs

Info

ID:	28067
PubChem CID:	825369
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	27.3
Dipole, Da:	6.0
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=S)N

DOS

IR

Vibrations