Geometry & MOs

Info

ID:	265396
PubChem CID:	103519572
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	13.8
Dipole, Da:	5.94
IP(EA), eV:	-9.39(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-aminophenoxy)ethyl]-3-bromo-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCN)NC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations