Geometry & MOs

Info

ID:	346853
PubChem CID:	127271357
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	340.168145
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	1.13
IP(EA), eV:	-9.1(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)C2=CC=C(C=C2)OCC3CC3

DOS

IR

Vibrations