Geometry & MOs

Info

ID:	58887
PubChem CID:	24715039
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	7.28
IP(EA), eV:	-9.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC(C)C)CC(=O)NC1=NOC=C1

DOS

IR

Vibrations