Geometry & MOs

Info

ID:	417325
PubChem CID:	135092065
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	6.2
IP(EA), eV:	-8.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CN=C1C2CCCN(C2)CC3=CC(=C(C=C3)OC)COC

DOS

IR

Vibrations