Geometry & MOs

Info

ID:	269063
PubChem CID:	103609544
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	3.83
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC1=NC=CC(=C1)C(=O)OC

DOS

IR

Vibrations