Geometry & MOs

Info

ID:	30849
PubChem CID:	842005
Reduced:	NO6C13H13 (1)
Stoich.:	AB6C13D13 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	-222.67
Dipole, Da:	5.55
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methylindole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)CCC(=O)O)OCO2

DOS

IR

Vibrations