Geometry & MOs

Info

ID:	27049
PubChem CID:	813668
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-124.08
Dipole, Da:	3.92
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(methoxycarbonylamino)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=NOC=C1)C(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations