Geometry & MOs

Info

ID:	213206
PubChem CID:	81063160
Reduced:	NO3F4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-327.34
Dipole, Da:	4.1
IP(EA), eV:	-10.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(quinoxaline-2-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations