Geometry & MOs

Info

ID:	80328
PubChem CID:	49834057
Reduced:	ClPN2F4O5H14C19 (1)
Stoich.:	ABC2D4E5F14G19 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	-419.28
Dipole, Da:	7.58
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(N1)COP(=O)(O)O)C2=CN=C(C=C2)C3=C(C=C(C=C3)C(F)(F)F)F)Cl

DOS

IR

Vibrations