Geometry & MOs

Info

ID:	373470
PubChem CID:	131315731
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	317.98652
ΔH_f, kcal/mol:	-105.13
Dipole, Da:	1.13
IP(EA), eV:	-9.02(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(2-hydroxyethyl)-5-iodo-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1CC(C1)(C2CCCNC2)C(=O)OC

DOS

IR

Vibrations