Geometry & MOs

Info

ID:	127359
PubChem CID:	50999629
Reduced:	NF2H3C4 (3)
Stoich.:	AB2C3D4 (3)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-253.78
Dipole, Da:	2.57
IP(EA), eV:	-8.64(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-ethoxyindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN2C=C(C=N2)N

DOS

IR

Vibrations