Geometry & MOs

Info

ID:	419856
PubChem CID:	135109432
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	64.56
Dipole, Da:	9.41
IP(EA), eV:	-8.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=CC4=NN=CN4C(=N3)N)C5=C1C=CS5

DOS

IR

Vibrations