Geometry & MOs

Info

ID:	256469
PubChem CID:	103139418
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	3.04
IP(EA), eV:	-8.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-aminoisoquinolin-8-yl)-3-methylpyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CSCCC1CC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations