Geometry & MOs

Info

ID:	256267
PubChem CID:	103138071
Reduced:	ClON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	274.121846
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	5.46
IP(EA), eV:	-9.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-aminoisoquinolin-8-yl)amino]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CCC(C1=CN(N=N1)CC2CCC(O2)C)Cl

DOS

IR

Vibrations