Geometry & MOs

Info

ID:	172498
PubChem CID:	75516468
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	-142.7
Dipole, Da:	12.21
IP(EA), eV:	-8.87(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-2-[(3,4,5-trifluorobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)N(C)CC(C)C(=O)O)C

DOS

IR

Vibrations