Geometry & MOs

Info

ID:	208501
PubChem CID:	80538154
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	293.067506
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	4.48
IP(EA), eV:	-9.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(2,3,4,5-tetrafluorobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)/C=C/C1=CC=C(C=C1)Br)C(=O)O

DOS

IR

Vibrations