Geometry & MOs

Info

ID:	257177
PubChem CID:	103144232
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	250.121846
ΔH_f, kcal/mol:	81.81
Dipole, Da:	5.21
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-8-yl-N,6-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations