Geometry & MOs

Info

ID:	256845
PubChem CID:	103141813
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	7.19
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrrol-1-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

C1C(CC1O)NC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations