Geometry & MOs

Info

ID:	256056
PubChem CID:	103136691
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	80.73
Dipole, Da:	3.19
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminoisoquinolin-8-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=CC=CC=N3

DOS

IR

Vibrations