Geometry & MOs

Info

ID:	27682
PubChem CID:	823035
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	5.44
IP(EA), eV:	-10.43(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations