Geometry & MOs

Info

ID:	310634
PubChem CID:	126584058
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	282.040734
ΔH_f, kcal/mol:	8.89
Dipole, Da:	4.14
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-1-methyl-4-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=C2NC=C3C[C@@H](CO)N

DOS

IR

Vibrations