Geometry & MOs

Info

ID:	256912
PubChem CID:	103142358
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	26.76
Dipole, Da:	10.11
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpiperidin-4-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1C(CCCN1)NC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations