Geometry & MOs

Info

ID:	285818
PubChem CID:	104133913
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	4.93
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-chloro-6-ethylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N2CCC3CCCCC3C2)Cl

DOS

IR

Vibrations