Geometry & MOs

Info

ID:	393737
PubChem CID:	135021577
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	42.54
Dipole, Da:	5.59
IP(EA), eV:	-8.27(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,8R,9R)-4,4,8-trimethyl-12-oxatricyclo[5.4.1.02,5]dodecane-8,9-diol

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](N2C3CC1C4C2CC5([C@H]3N(C6=CC=CC=C65)C)C4O)O

DOS

IR

Vibrations