Geometry & MOs

Info

ID:	378014
PubChem CID:	134224082
Reduced:	ON3H23C27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	442.004261
ΔH_f, kcal/mol:	113.18
Dipole, Da:	3.41
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(C1=CC=CC(=C1)C2=CN=C(C=C2)C3=CC=CC=C3OCC4=CC=CC=C4)N=C

DOS

IR

Vibrations