Geometry & MOs

Info

ID:	420510
PubChem CID:	135113531
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-91.97
Dipole, Da:	1.92
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylimidazol-2-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC(=C2)CN3CCC(CC3)C4=NNC(=C4)CC(=O)O

DOS

IR

Vibrations