Geometry & MOs

Info

ID:	420543
PubChem CID:	135113748
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	4.97
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C4C=CN(C4=CC=C3)C

DOS

IR

Vibrations