Geometry & MOs

Info

ID:	40177
PubChem CID:	8143689
Reduced:	OSN4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	247.114319
ΔH_f, kcal/mol:	43.82
Dipole, Da:	3.84
IP(EA), eV:	-8.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(pyrrolidin-1-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN(C(=S)N2CC3=CC=CC=C3)CN4CCCC4

DOS

IR

Vibrations