Geometry & MOs

Info

ID:	334098
PubChem CID:	127252650
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	6.28
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations