Geometry & MOs

Info

ID:	442960
PubChem CID:	135257145
Reduced:	ClO2N5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-47.79
Dipole, Da:	6.35
IP(EA), eV:	-7.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-azabicyclo[3.2.1]octan-8-ol

Drug info:

PubChemData

Smile

CC1CC/C(=C\NC\2=CC(=CN/C2=C\N)Cl)/C13C(=O)NC(=O)N3

DOS

IR

Vibrations