Geometry & MOs

Info

ID:	40257
PubChem CID:	8143825
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	314.169094
ΔH_f, kcal/mol:	73.45
Dipole, Da:	8.23
IP(EA), eV:	-8.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCCC3

DOS

IR

Vibrations