Geometry & MOs

Info

ID:	45341
PubChem CID:	10511616
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-83.64
Dipole, Da:	5.13
IP(EA), eV:	-9.68(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,8R)-12-oxatricyclo[6.3.1.01,5]dodecan-8-ol

Drug info:

PubChemData

Smile

CC1(CCC2(CC1)CC(=O)NC2)C

DOS

IR

Vibrations