Geometry & MOs

Info

ID:	414216
PubChem CID:	135087172
Reduced:	F3N4H10C13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	297.055656
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	4.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087368
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)-2-oxoethyl]-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C2=C(C=C(C=C2)C(F)(F)F)N=[N+]=[N-]

DOS

IR

Vibrations