Geometry & MOs

Info

ID:	201983
PubChem CID:	79613025
Reduced:	BrFNO2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	2.42
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(3-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CC3=C(C=C(C=C3)Br)F)CC(=O)O

DOS

IR

Vibrations