Geometry & MOs

Info

ID:	414226
PubChem CID:	135087182
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	298.99458
ΔH_f, kcal/mol:	82.79
Dipole, Da:	2.84
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-1H-indol-2-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CN(CC#C)C(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3

DOS

IR

Vibrations