Geometry & MOs

Info

ID:	416929
PubChem CID:	135090801
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	3.77
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C(=O)C3=CC4=CC=CC=C4OC=C3)CO

DOS

IR

Vibrations