Geometry & MOs

Info

ID:	365495
PubChem CID:	127317917
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-60.0
Dipole, Da:	6.54
IP(EA), eV:	-8.63(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NC(C)C3=CC=C(C=C3)NC(=O)NC4CC4

DOS

IR

Vibrations