Geometry & MOs

Info

ID:	210656
PubChem CID:	80835928
Reduced:	ClON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	290.185509
ΔH_f, kcal/mol:	12.14
Dipole, Da:	3.01
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NC2COC3=CC=CC=C23)Cl

DOS

IR

Vibrations