Geometry & MOs

Info

ID:	256911
PubChem CID:	103142349
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	61.8
Dipole, Da:	10.02
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpiperidin-3-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CN(C1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-])C(CN)C3CC3

DOS

IR

Vibrations