Geometry & MOs

Info

ID:	401424
PubChem CID:	135051231
Reduced:	INOCl3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	440.10994
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	3.39
IP(EA), eV:	-9.69(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-bromobenzoyl)indol-3-yl]-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)I)C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations