Geometry & MOs

Info

ID:	439175
PubChem CID:	135228940
Reduced:	Cl2O5N7H17C24 (1)
Stoich.:	A2B5C7D17E24 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	10.49
IP(EA), eV:	-9.35(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(8-methyl-8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=C(C(=C(C=C3)OC4=C5C(=NC=C4)NC(=O)C=N5)Cl)Cl

DOS

IR

Vibrations