Geometry & MOs

Info

ID:	144685
PubChem CID:	53399483
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	345.00006
ΔH_f, kcal/mol:	-13.26
Dipole, Da:	1.46
IP(EA), eV:	-8.02(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-phenylmethoxy-1H-indole-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OCC3=CC=CC=C3)C=CN2

DOS

IR

Vibrations