Geometry & MOs

Info

ID:	256899
PubChem CID:	103142236
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	4.89
IP(EA), eV:	-9.1(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(5-nitroisoquinolin-8-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)C1=CC=CC2=C1CNCC2

DOS

IR

Vibrations