Geometry & MOs

Info

ID:	256318
PubChem CID:	103138438
Reduced:	N6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	98.87
Dipole, Da:	3.02
IP(EA), eV:	-8.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)amino]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)NCCC3=NC=NN3

DOS

IR

Vibrations