Geometry & MOs

Info

ID:	403126
PubChem CID:	135058829
Reduced:	BrClNO2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	323.131014
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	4.16
IP(EA), eV:	-9.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-1-benzylindole

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations