Geometry & MOs

Info

ID:	72265
PubChem CID:	48415985
Reduced:	BrO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	14.31
Dipole, Da:	1.0
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(O3)C(=CC=C4)Br

DOS

IR

Vibrations