Geometry & MOs

Info

ID:	265393
PubChem CID:	103519554
Reduced:	BrO2N4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	288.02219
ΔH_f, kcal/mol:	25.67
Dipole, Da:	4.08
IP(EA), eV:	-9.38(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-5-nitropyridin-4-yl)-N-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1CN)C2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations