Geometry & MOs

Info

ID:	423913
PubChem CID:	135120738
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	63.02
Dipole, Da:	2.11
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(5-methyl-1H-imidazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)CN3CC(C3)C4=CC=CC=N4

DOS

IR

Vibrations