Geometry & MOs

Info

ID:	261493
PubChem CID:	103236382
Reduced:	BrFNO3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	-117.13
Dipole, Da:	2.5
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(2-chloro-4-methylanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)NC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations