Geometry & MOs

Info

ID:	45367
PubChem CID:	10512137
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	1.82
IP(EA), eV:	-8.32(2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,8S)-4,4-dimethyl-3,5,9-trioxatricyclo[6.3.0.02,6]undecan-10-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@H]2CCCN([C@@H]2C1)C)CO

DOS

IR

Vibrations