Geometry & MOs

Info

ID:	361315
PubChem CID:	127302510
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	5.61
IP(EA), eV:	-9.0(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4)O

DOS

IR

Vibrations