Geometry & MOs

Info

ID:	417380
PubChem CID:	135092968
Reduced:	FN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	8.79
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CNC4=CC(=C(C=C4C3=O)F)N5CCOCC5

DOS

IR

Vibrations