Geometry & MOs

Info

ID:	335573
PubChem CID:	127254435
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	5.8
IP(EA), eV:	-8.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(CCC2=C1)NC(=O)CCCCCN3C=CC=C3)OC

DOS

IR

Vibrations