Geometry & MOs

Info

ID:	377993
PubChem CID:	134224060
Reduced:	N3C8H13 (1)
Stoich.:	A3B8C13 (1)
Weight, g/mol:	409.027249
ΔH_f, kcal/mol:	61.13
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-6-chloro-1-(4-chlorophenyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C/N=C)\C(=NC)N

DOS

IR

Vibrations