Geometry & MOs

Info

ID:	40406
PubChem CID:	8144063
Reduced:	FOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	381.186141
ΔH_f, kcal/mol:	25.24
Dipole, Da:	3.44
IP(EA), eV:	-8.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations