Geometry & MOs

Info

ID:	365735
PubChem CID:	127318460
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	3.15
IP(EA), eV:	-9.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C(=O)N2CCC(CC2)OC3CCCC3

DOS

IR

Vibrations