Geometry & MOs

Info

ID:	207255
PubChem CID:	80367596
Reduced:	NF3O4C11H16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-338.66
Dipole, Da:	2.88
IP(EA), eV:	-9.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-methoxy-3-methylbutanoyl)amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

COCCCC(=O)N1CCC(C1)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations