Geometry & MOs

Info

ID:	417764
PubChem CID:	135102666
Reduced:	FO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	279.173548
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	6.24
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-methyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC[C@@H]2CCCN3[C@@H]2CCCC3)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations