Geometry & MOs

Info

ID:	381252
PubChem CID:	134971932
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	7.28
IP(EA), eV:	-8.25(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-ethoxy-1-(4-methoxyanilino)-2-oxoethyl]-1H-indole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CNC2=C1C=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC

DOS

IR

Vibrations