Geometry & MOs

Info

ID:	27052
PubChem CID:	813671
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	4.01
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-acetamido-5-methyl-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations