Geometry & MOs

Info

ID:	256325
PubChem CID:	103138468
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	18.54
Dipole, Da:	2.73
IP(EA), eV:	-7.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-aminoisoquinolin-8-yl)amino]methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1C)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations