Geometry & MOs

Info

ID:	285817
PubChem CID:	104133911
Reduced:	ClON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	18.47
Dipole, Da:	3.21
IP(EA), eV:	-9.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)NC2=NC=CN=C2)Cl

DOS

IR

Vibrations