Geometry & MOs

Info

ID:	415480
PubChem CID:	135088475
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	2.57
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)CN3C=CC4=CC=CC=C43

DOS

IR

Vibrations