Geometry & MOs

Info

ID:	256462
PubChem CID:	103139384
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	3.97
IP(EA), eV:	-7.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-aminoisoquinolin-8-yl)-methylamino]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CCOC(C)(C)CNC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations