Geometry & MOs

Info

ID:	307063
PubChem CID:	125267436
Reduced:	BrNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	21.34
Dipole, Da:	2.19
IP(EA), eV:	-9.47(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-bromo-1-[(2S)-2-methyl-2H-indol-3-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=C2C=CC=CC2=N1)C(=O)[C@@H](C)Br

DOS

IR

Vibrations