Geometry & MOs

Info

ID:	307062
PubChem CID:	125267435
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	23.96
Dipole, Da:	3.96
IP(EA), eV:	-9.13(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)N/N=C\C2=CC=CO2

DOS

IR

Vibrations