Geometry & MOs

Info

ID:	126009
PubChem CID:	50948171
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	28.3
Dipole, Da:	1.6
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(N=CN2CC(C3=CN=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations