Geometry & MOs

Info

ID:	256975
PubChem CID:	103142844
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	3.0
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-8-(piperidin-3-ylmethoxy)isoquinoline

Drug info:

PubChemData

Smile

CCC(COC)(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations