Geometry & MOs

Info

ID:	207425
PubChem CID:	80395118
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	284.217387
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	2.07
IP(EA), eV:	-8.72(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl]butane-1-thiol

Drug info:

PubChemData

Smile

CC(C)C(C)OC1CC(C12CCCCCC2)NC

DOS

IR

Vibrations