Geometry & MOs

Info

ID:	25018
PubChem CID:	616662
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	3.09
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)C

DOS

IR

Vibrations