Geometry & MOs

Info

ID:	351241
PubChem CID:	127279799
Reduced:	Cl2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	4.23
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations