Geometry & MOs

Info

ID:	256129
PubChem CID:	103137242
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	79.12
Dipole, Da:	3.95
IP(EA), eV:	-7.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(5-methylpyridin-3-yl)methanamine

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations