Geometry & MOs

Info

ID:	201025
PubChem CID:	79476259
Reduced:	BrSN2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	44.97
Dipole, Da:	2.2
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C(C1=CC(=CC=C1)Br)N(C)CCC2=CC=CS2)N

DOS

IR

Vibrations