Geometry & MOs

Info

ID:	265374
PubChem CID:	103518975
Reduced:	BrN3O5C11H12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	331.01677
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	4.05
IP(EA), eV:	-10.01(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-nitropyridin-4-yl)amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CC1(COCC1NC2=C(C=NC=C2[N+](=O)[O-])Br)C(=O)O

DOS

IR

Vibrations