Geometry & MOs

Info

ID:	256989
PubChem CID:	103142923
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	24.03
Dipole, Da:	2.22
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-nitroisoquinolin-8-yl)piperidine-4-carbaldehyde

Drug info:

PubChemData

Smile

C1C(CN1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations