Geometry & MOs

Info

ID:	436484
PubChem CID:	135203813
Reduced:	N3O7C14H21 (1)
Stoich.:	A3B7C14D21 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-278.41
Dipole, Da:	4.62
IP(EA), eV:	-10.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(chloromethyl)-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CC(OC(=O)C(C)(C)C)OC(=O)NC(CC/C(=C/[N+]#N)/[O-])C(=O)O

DOS

IR

Vibrations