Geometry & MOs

Info

ID:	40403
PubChem CID:	8144055
Reduced:	ClOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	400.06606
ΔH_f, kcal/mol:	63.49
Dipole, Da:	3.49
IP(EA), eV:	-8.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-bromo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations