Geometry & MOs

Info

ID:	214002
PubChem CID:	81065693
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	317.00112
ΔH_f, kcal/mol:	47.93
Dipole, Da:	2.34
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC1=NC(=NO1)C2=CC3=CC=CC=C3C=C2)CN

DOS

IR

Vibrations