Geometry & MOs

Info

ID:	71852
PubChem CID:	48415538
Reduced:	ClFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	3.09
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations