Geometry & MOs

Info

ID:	369402
PubChem CID:	127333136
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-131.64
Dipole, Da:	4.6
IP(EA), eV:	-9.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4C5CCC4CC(C5)O

DOS

IR

Vibrations