Geometry & MOs

Info

ID:	256981
PubChem CID:	103142885
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	6.51
Dipole, Da:	8.22
IP(EA), eV:	-9.57(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-8-yl-1-propylazepan-4-ol

Drug info:

PubChemData

Smile

C1C(CC1OC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])CN

DOS

IR

Vibrations