Geometry & MOs

Info

ID:	365743
PubChem CID:	127318468
Reduced:	ClN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-115.61
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)NCC(C3=CC(=CC=C3)Cl)N4CCOCC4

DOS

IR

Vibrations