Geometry & MOs

Info

ID:	27290
PubChem CID:	820290
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	321.118735
ΔH_f, kcal/mol:	-1.08
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbut-2-enylsulfanyl)-1-phenylindole-3-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@]1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCBr

DOS

IR

Vibrations