Geometry & MOs

Info

ID:	187025
PubChem CID:	77519815
Reduced:	NO8C31H33 (1)
Stoich.:	AB8C31D33 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	-214.5
Dipole, Da:	7.72
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-3-[(pyridin-3-ylmethylamino)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)O.C1CC1CN2CC[C@@]34[C@@H]5C(=O)C(=CC6=CC=CC=C6)C[C@@]3(C2CC7=C4C(=C(C=C7)O)O5)O.C(=O)O

DOS

IR

Vibrations