Geometry & MOs

Info

ID:	203327
PubChem CID:	79814077
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	298.0965
ΔH_f, kcal/mol:	-134.33
Dipole, Da:	6.14
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(2-fluoro-4-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC1=CC(=C(C=C1)C)C(=O)O)N

DOS

IR

Vibrations