Geometry & MOs

Info

ID:	431385
PubChem CID:	135171460
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	326.060425
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	2.25
IP(EA), eV:	-8.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-1-[2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazol-4-yl]imidazol-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=CC=CC(=C3N2C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations