Geometry & MOs

Info

ID:	420856
PubChem CID:	135114932
Reduced:	FN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-117.72
Dipole, Da:	3.54
IP(EA), eV:	-9.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(furan-3-ylmethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CCOCC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations