Geometry & MOs

Info

ID:	403278
PubChem CID:	135059512
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	3.71
IP(EA), eV:	-10.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,2-dimethylpropanoyloxy)-1-oxoisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2(C[C@H]1C=O)C=CC(=O)C=C2

DOS

IR

Vibrations