Geometry & MOs

Info

ID:	365810
PubChem CID:	127318535
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	4.56
IP(EA), eV:	-8.98(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations