Geometry & MOs

Info

ID:	257190
PubChem CID:	103144292
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	69.8
Dipole, Da:	1.72
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-6-isoquinolin-8-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC=CC(=N1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations