Geometry & MOs

Info

ID:	135978
PubChem CID:	51961995
Reduced:	BrO2N6H17C20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	296.122144
ΔH_f, kcal/mol:	34.48
Dipole, Da:	4.17
IP(EA), eV:	-8.58(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-phenylpiperazin-1-yl)thieno[3,2-c]pyridin-5-ium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N2)Br)N4C=NC=N4

DOS

IR

Vibrations