Geometry & MOs

Info

ID:	134374
PubChem CID:	51687431
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	2.23
IP(EA), eV:	-9.7(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-7-methoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@]12C=C[C@@]3(O1)[C@@H]([C@@H]2C(=O)NC4CCCCC4)C(=O)N([C@@H]3C(=O)NC(C)(C)C)CC=C

DOS

IR

Vibrations