Geometry & MOs

Info

ID:	417076
PubChem CID:	135091258
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	23.53
Dipole, Da:	2.9
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=CN=CC=C3)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations