Geometry & MOs

Info

ID:	416223
PubChem CID:	135089233
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	31.9
Dipole, Da:	2.61
IP(EA), eV:	-9.11(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCN1C=CC=N1)C(=O)CCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations