Geometry & MOs

Info

ID:	341754
PubChem CID:	127264447
Reduced:	NO4F6H15C21 (1)
Stoich.:	AB4C6D15E21 (1)
Weight, g/mol:	442.88357
ΔH_f, kcal/mol:	-403.56
Dipole, Da:	5.27
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(5-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)thiophen-2-amine

Drug info:

PubChemData

Smile

CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations