Geometry & MOs

Info

ID:	421595
PubChem CID:	135116279
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	37.71
Dipole, Da:	4.59
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[2-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-oxoethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC(=CC=C2)OCCCN3C=CN=C3)C4=NC=CN4

DOS

IR

Vibrations