Geometry & MOs

Info

ID:	440275
PubChem CID:	135230207
Reduced:	IN4C24H47 (1)
Stoich.:	AB4C24D47 (1)
Weight, g/mol:	309.068431
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	2.28
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CNC1CCN(CC1)CCN(C)C2CCC(CC2)CCCNC3CCC(CC3)I

DOS

IR

Vibrations