Geometry & MOs

Info

ID:	371476
PubChem CID:	127346543
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-16.82
Dipole, Da:	8.99
IP(EA), eV:	-9.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCSCC3=NC(=O)C4=CC=CC=C4N3)O

DOS

IR

Vibrations