Geometry & MOs

Info

ID:	58320
PubChem CID:	24697797
Reduced:	NF3C7H12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-177.37
Dipole, Da:	3.97
IP(EA), eV:	-9.56(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-acetamidoacetyl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)NCC(F)(F)F

DOS

IR

Vibrations