Geometry & MOs

Info

ID:	414264
PubChem CID:	135087220
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	371.210996
ΔH_f, kcal/mol:	54.18
Dipole, Da:	7.32
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC(=NC4=C3NC=N4)N)C5=C1SC=C5

DOS

IR

Vibrations