Geometry & MOs

Info

ID:	80383
PubChem CID:	49834233
Reduced:	FON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	-10.51
Dipole, Da:	7.03
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pyrimidin-2-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC=C(C=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations