Geometry & MOs

Info

ID:	417684
PubChem CID:	135102493
Reduced:	O2N3F6H15C16 (1)
Stoich.:	A2B3C6D15E16 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-366.18
Dipole, Da:	6.16
IP(EA), eV:	-9.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations