Geometry & MOs

Info

ID:	416400
PubChem CID:	135089413
Reduced:	ClON4C23H29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	317.156184
ΔH_f, kcal/mol:	-16.23
Dipole, Da:	6.74
IP(EA), eV:	-8.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations