Geometry & MOs

Info

ID:	414043
PubChem CID:	135086996
Reduced:	PO3H11C17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	271.082013
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	4.79
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methyl-5-(trifluoromethyl)indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P2OC3=CC4=CC=CC=C4C=C3C(=O)O2

DOS

IR

Vibrations