Geometry & MOs

Info

ID:	341987
PubChem CID:	127264680
Reduced:	Cl2N2F3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-214.98
Dipole, Da:	2.99
IP(EA), eV:	-10.84(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;methyl 5-acetyloxy-2-methyl-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NC=C(C=C1)C(F)(F)F)N.Cl.Cl

DOS

IR

Vibrations