Geometry & MOs

Info

ID:	372061
PubChem CID:	131292737
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	240.97384
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	2.12
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-4-bromo-5-hydroxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1(CN(C2=C1C=C(C=N2)CBr)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations