Geometry & MOs

Info

ID:	285733
PubChem CID:	104123053
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	-59.06
Dipole, Da:	3.69
IP(EA), eV:	-9.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(2-chloro-6-methylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC(CC)C(C)NC(=O)C1=CC(=NC(=C1)C)Cl

DOS

IR

Vibrations