Geometry & MOs

Info

ID:	417006
PubChem CID:	135091082
Reduced:	O2F3N3C15H18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	345.140804
ΔH_f, kcal/mol:	-196.25
Dipole, Da:	8.02
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-chloro-4-fluorophenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations