Geometry & MOs

Info

ID:	178914
PubChem CID:	76400758
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	2.02
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethyl)-6-pyrimidin-2-yl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)N2CC3C(C2)OCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations