Geometry & MOs

Info

ID:	351237
PubChem CID:	127279795
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	4.7
IP(EA), eV:	-9.31(-0.37)
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]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3(CCCC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations