Geometry & MOs

Info

ID:	419601
PubChem CID:	135108535
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	2.61
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations