Geometry & MOs

Info

ID:	418699
PubChem CID:	135106580
Reduced:	FNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	-231.62
Dipole, Da:	5.18
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=C(C=C(C=C3)F)O)O

DOS

IR

Vibrations