Geometry & MOs

Info

ID:	256429
PubChem CID:	103139194
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	17.25
Dipole, Da:	5.27
IP(EA), eV:	-7.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)amino]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(CNC1=C2C=NC=CC2=C(C=C1)N)S(=O)C

DOS

IR

Vibrations