Geometry & MOs

Info

ID:	421229
PubChem CID:	135115623
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-193.51
Dipole, Da:	6.38
IP(EA), eV:	-9.13(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)C

DOS

IR

Vibrations