Geometry & MOs

Info

ID:	213377
PubChem CID:	81063574
Reduced:	NO3F4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	-296.02
Dipole, Da:	2.28
IP(EA), eV:	-10.41(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(C(=C1F)F)F)F

DOS

IR

Vibrations