Geometry & MOs

Info

ID:	256440
PubChem CID:	103139229
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	8.86
Dipole, Da:	4.45
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)O)C

DOS

IR

Vibrations