Geometry & MOs

Info

ID:	204584
PubChem CID:	79986710
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	417.91731
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	3.65
IP(EA), eV:	-9.33(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC4=CN=C(O4)CCN

DOS

IR

Vibrations