Geometry & MOs

Info

ID:	414004
PubChem CID:	135086957
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	218.032757
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	4.16
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitro-1H-indol-3-yl)-2-oxoacetaldehyde

Drug info:

PubChemData

Smile

CC(C1=CNC2=C1C=CC(=C2)F)C(C(=O)OC)N

DOS

IR

Vibrations