Geometry & MOs

Info

ID:	373356
PubChem CID:	131313941
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	335.8932
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	4.78
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-5,7-dibromo-3-(hydroxymethyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1Br)O)OC)C#N

DOS

IR

Vibrations