Geometry & MOs

Info

ID:	22927
PubChem CID:	599977
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	4.43
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethylimidazo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C2N1C(=CC(=N2)C)C

DOS

IR

Vibrations