Geometry & MOs

Info

ID:	213641
PubChem CID:	81064470
Reduced:	N2O6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	344.00078
ΔH_f, kcal/mol:	-165.97
Dipole, Da:	3.71
IP(EA), eV:	-10.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-nitrobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations