Geometry & MOs

Info

ID:	365757
PubChem CID:	127318482
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	4.03
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(S2)C(CCC3)NC(=O)C4CC5CCC4O5

DOS

IR

Vibrations