Geometry & MOs

Info

ID:	419396
PubChem CID:	135108114
Reduced:	ClN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-158.94
Dipole, Da:	4.25
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@H]2CC[C@H](C1)N(C2)CC3=C(C=CC(=C3)Cl)OCC(=O)O

DOS

IR

Vibrations