Geometry & MOs

Info

ID:	257176
PubChem CID:	103144227
Reduced:	ClN3H8C13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	94.32
Dipole, Da:	3.04
IP(EA), eV:	-9.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-isoquinolin-8-yl-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=NC=CN=C3Cl

DOS

IR

Vibrations