Geometry & MOs

Info

ID:	418328
PubChem CID:	135104196
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	371.210996
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	5.58
IP(EA), eV:	-9.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=CC=C3C4=NC=CN4)C(=O)O

DOS

IR

Vibrations