Geometry & MOs

Info

ID:	80382
PubChem CID:	49834232
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	347.14339
ΔH_f, kcal/mol:	-26.81
Dipole, Da:	4.76
IP(EA), eV:	-8.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C3=NC=C(C=C3)C(=O)NC4=CC=CC=N4)OC

DOS

IR

Vibrations