Geometry & MOs

Info

ID:	136552
PubChem CID:	52061458
Reduced:	ClN4O5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	377.161853
ΔH_f, kcal/mol:	-111.82
Dipole, Da:	7.15
IP(EA), eV:	-8.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations