Geometry & MOs

Info

ID:	420404
PubChem CID:	135112951
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	6.19
IP(EA), eV:	-9.2(-0.99)
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'-ylacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations