Geometry & MOs

Info

ID:	421388
PubChem CID:	135115905
Reduced:	N3O6C17H21 (1)
Stoich.:	A3B6C17D21 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-207.7
Dipole, Da:	2.62
IP(EA), eV:	-9.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C)C(=O)C

DOS

IR

Vibrations