Geometry & MOs

Info

ID:	320209
PubChem CID:	126658717
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	288.162649
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	2.97
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(2-methyl-1H-isoquinolin-7-yl)-2H-quinoline

Drug info:

PubChemData

Smile

CNC(=O)/C(=C(\C=O)/C=C\C=C/C(=C(/C(=O)NC)\C=C)/C=O)/C=C

DOS

IR

Vibrations