Geometry & MOs

Info

ID:	368025
PubChem CID:	127326517
Reduced:	SO3N6C14H18 (1)
Stoich.:	AB3C6D14E18 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	8.27
IP(EA), eV:	-10.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(morpholin-4-ylmethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations