Geometry & MOs

Info

ID:	378064
PubChem CID:	134224133
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	357.076786
ΔH_f, kcal/mol:	28.24
Dipole, Da:	1.91
IP(EA), eV:	-8.76(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-(4-methoxybenzoyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C=C/C(=C\C(=C)N(C[C@H]1CO1)C[C@@H]2CO2)/CCC3CC3

DOS

IR

Vibrations