Geometry & MOs

Info

ID:	369673
PubChem CID:	127335003
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	378.091725
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	3.36
IP(EA), eV:	-9.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(1-methylimidazol-2-yl)sulfanylpyridin-3-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CNC(=O)C3=NOC(=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations