Geometry & MOs

Info

ID:	396271
PubChem CID:	135027896
Reduced:	O2N3H21C24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	230.107358
ΔH_f, kcal/mol:	2.16
Dipole, Da:	2.14
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,8R)-4-chloro-8-methoxy-2,2-dimethylbicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CN(C)CCN1C(=O)C2=C(C=CC3=C2N(C1=O)C4=CC=CC=C34)C5=CC=CC=C5

DOS

IR

Vibrations