Geometry & MOs

Info

ID:	348568
PubChem CID:	127273679
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	377.127009
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	4.45
IP(EA), eV:	-8.8(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)CCN3C=NC=N3

DOS

IR

Vibrations