Geometry & MOs

Info

ID:	180283
PubChem CID:	76608566
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	31.45
Dipole, Da:	3.92
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=NC=NC=C2)N3CCOC(C3)C4=CC=CC=C4C5=CN=CC=C5

DOS

IR

Vibrations