Geometry & MOs

Info

ID:	422117
PubChem CID:	135117232
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	4.56
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,3-oxazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations