Geometry & MOs

Info

ID:	422847
PubChem CID:	135118508
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	6.66
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-benzimidazol-2-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C1COCC2=C1NN=C2C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations