Geometry & MOs

Info

ID:	256988
PubChem CID:	103142915
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-6.5
Dipole, Da:	6.44
IP(EA), eV:	-9.48(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-ylazetidin-3-ol

Drug info:

PubChemData

Smile

C1CNCC1CCOC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations