Geometry & MOs

Info

ID:	70127
PubChem CID:	47208003
Reduced:	ICl2N2O2H9C12 (1)
Stoich.:	AB2C2D2E9F12 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	1.96
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-methylimidazol-2-yl)methyl 1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CN=C1COC(=O)C2=CC(=C(C=C2)Cl)I)Cl

DOS

IR

Vibrations