Geometry & MOs

Info

ID:	41075
PubChem CID:	8145213
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	425.212356
ΔH_f, kcal/mol:	19.98
Dipole, Da:	4.81
IP(EA), eV:	-8.09(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N4CCCCCC4=N3

DOS

IR

Vibrations