Geometry & MOs

Info

ID:	351357
PubChem CID:	127280245
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	2.93
IP(EA), eV:	-8.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=CC4=C(N3)C=C(C=C4)C(C)(C)C

DOS

IR

Vibrations