Geometry & MOs

Info

ID:	265368
PubChem CID:	103518879
Reduced:	BrN3O4H8C12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	302.98547
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	4.14
IP(EA), eV:	-9.91(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-nitropyridin-4-yl)-ethylamino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)NC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations