Geometry & MOs

Info

ID:	21590
PubChem CID:	589098
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	4.24
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations