Geometry & MOs

Info

ID:	66448
PubChem CID:	46504590
Reduced:	F3O3N5H14C22 (1)
Stoich.:	A3B3C5D14E22 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-148.03
Dipole, Da:	4.75
IP(EA), eV:	-9.25(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-1-oxo-2-(pyrazine-2-carbonylamino)isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN(C2=O)NC(=O)C3=NC=CN=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations