Geometry & MOs

Info

ID:	403177
PubChem CID:	135059069
Reduced:	BrO2H21C25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	0.71
Dipole, Da:	2.89
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,6-dimethyl-2-phenylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@]2(CC(=C(O2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)CBr

DOS

IR

Vibrations