Geometry & MOs

Info

ID:	207045
PubChem CID:	80337777
Reduced:	O3N4C10H14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	3.31
IP(EA), eV:	-9.37(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-[(2-methoxypyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C)C1=NN=C(C=C1)C(=O)NC

DOS

IR

Vibrations