Geometry & MOs

Info

ID:	420772
PubChem CID:	135114790
Reduced:	NO3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	333.131112
ΔH_f, kcal/mol:	-244.77
Dipole, Da:	6.26
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2CC[C@@H]([C@@H](C2)O)C(=O)O)OC

DOS

IR

Vibrations