Geometry & MOs

Info

ID:	256367
PubChem CID:	103138787
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	10.47
Dipole, Da:	4.42
IP(EA), eV:	-7.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)NC3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations