Geometry & MOs

Info

ID:	257172
PubChem CID:	103144191
Reduced:	Cl2N3H7C13 (1)
Stoich.:	A2B3C7D13 (1)
Weight, g/mol:	283.05124
ΔH_f, kcal/mol:	96.12
Dipole, Da:	5.96
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-isoquinolin-8-yl-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=CC(=NN=C3Cl)Cl

DOS

IR

Vibrations