Geometry & MOs

Info

ID:	257188
PubChem CID:	103144284
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	250.121846
ΔH_f, kcal/mol:	84.68
Dipole, Da:	5.31
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CN=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations