Geometry & MOs

Info

ID:	415505
PubChem CID:	135088501
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	385.226646
ΔH_f, kcal/mol:	18.27
Dipole, Da:	3.68
IP(EA), eV:	-8.61(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations