Geometry & MOs

Info

ID:	127034
PubChem CID:	50988101
Reduced:	NCl2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	189.061221
ΔH_f, kcal/mol:	-23.76
Dipole, Da:	3.51
IP(EA), eV:	-10.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylthiophen-2-yl)aniline

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)Cl.Cl

DOS

IR

Vibrations