Geometry & MOs

Info

ID:	41372
PubChem CID:	8145742
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	387.115868
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	4.24
IP(EA), eV:	-8.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyltetrazole-5-thione

Drug info:

PubChemData

Smile

C[C@H]\1CC[C@@H](C(=O)/C1=C\C2=CC=C(C=C2)OC)C(C)C

DOS

IR

Vibrations