Geometry & MOs

Info

ID:	56837
PubChem CID:	22394336
Reduced:	BrClSH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	315.066221
ΔH_f, kcal/mol:	26.14
Dipole, Da:	1.84
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=C2)CBr

DOS

IR

Vibrations