Geometry & MOs

Info

ID:	420459
PubChem CID:	135113233
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	353.226726
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	7.79
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2C=C1)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations