Geometry & MOs

Info

ID:	404592
PubChem CID:	135067173
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	413.014097
ΔH_f, kcal/mol:	-14.05
Dipole, Da:	0.69
IP(EA), eV:	-8.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3O)C4=COC=C4

DOS

IR

Vibrations