Geometry & MOs

Info

ID:	26509
PubChem CID:	650627
Reduced:	OS2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	285.125946
ΔH_f, kcal/mol:	87.43
Dipole, Da:	4.29
IP(EA), eV:	-8.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

DOS

IR

Vibrations