Geometry & MOs

Info

ID:	29434
PubChem CID:	833796
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	286.117824
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	4.52
IP(EA), eV:	-8.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1CNC(C)C)NC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations