Geometry & MOs

Info

ID:	257183
PubChem CID:	103144254
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	253.09636
ΔH_f, kcal/mol:	76.06
Dipole, Da:	4.22
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-8-yl-6-methoxy-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NC)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations