Geometry & MOs

Info

ID:	414372
PubChem CID:	135087328
Reduced:	O4N5C18H23 (1)
Stoich.:	A4B5C18D23 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	5.05
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCNC(=O)CCC2=CN(CCOC3=C(C=C(C1=O)C=C3)OC)N=N2

DOS

IR

Vibrations