Geometry & MOs

Info

ID:	418038
PubChem CID:	135103362
Reduced:	OF3N4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-179.35
Dipole, Da:	6.49
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CC(=N1)N2CCC[C@]3(C2)CCC[C@H]3OC)C(F)(F)F

DOS

IR

Vibrations