Geometry & MOs

Info

ID:	415741
PubChem CID:	135088741
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	4.66
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC(=NO3)C

DOS

IR

Vibrations