Geometry & MOs

Info

ID:	415131
PubChem CID:	135088117
Reduced:	F2O5N6C26H34 (1)
Stoich.:	A2B5C6D26E34 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-260.77
Dipole, Da:	8.26
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=NN(C=C3)C(F)F

DOS

IR

Vibrations