Geometry & MOs

Info

ID:	420165
PubChem CID:	135111536
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	386.191818
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	5.51
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(CC2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations