Geometry & MOs

Info

ID:	420343
PubChem CID:	135112622
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	3.46
IP(EA), eV:	-9.49(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations