Geometry & MOs

Info

ID:	256803
PubChem CID:	103141501
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	38.07
Dipole, Da:	9.65
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(5-nitroisoquinolin-8-yl)amino]propanamide

Drug info:

PubChemData

Smile

CN1CCC(C1)NC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations