Geometry & MOs

Info

ID:	174646
PubChem CID:	75800431
Reduced:	FN6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	238.050905
ΔH_f, kcal/mol:	94.26
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003101
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-6-chloro-3aH-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)F)C[NH2+]CC3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations