Geometry & MOs

Info

ID:	256505
PubChem CID:	103139631
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	0.72
Dipole, Da:	4.27
IP(EA), eV:	-8.05(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-(oxan-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations