Geometry & MOs

Info

ID:	363605
PubChem CID:	127311684
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	5.8
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methoxymethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)N3CCCCC3C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations