Geometry & MOs

Info

ID:	287892
PubChem CID:	104297648
Reduced:	BrNF3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	338.99286
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	4.69
IP(EA), eV:	-9.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-(4-bromo-3-methylphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(CC2=CC=C(C=C2)C(F)(F)F)N)Br

DOS

IR

Vibrations