Geometry & MOs

Info

ID:	267706
PubChem CID:	103585628
Reduced:	BrOF2N2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	229.091435
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	1.35
IP(EA), eV:	-8.95(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-difluoro-4-methylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NCC(=O)NC2=CC=CC=C2Br)F

DOS

IR

Vibrations