Geometry & MOs

Info

ID:	415631
PubChem CID:	135088630
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	6.33
IP(EA), eV:	-8.8(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=NN(C=C4)C(C)C

DOS

IR

Vibrations