Geometry & MOs

Info

ID:	167361
PubChem CID:	74815420
Reduced:	N3O3C23H34 (1)
Stoich.:	A3B3C23D34 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.918690
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC[NH+](C1)CC2=CN(N=C2)C(C)C)CCOC3=CC=CC=C3

DOS

IR

Vibrations