Geometry & MOs

Info

ID:	413608
PubChem CID:	135086557
Reduced:	ClN2F3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	344.098391
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	4.95
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(ethoxycarbonylamino)-6-(trifluoromethyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=C(N=CC=C2)Cl)C(F)(F)F

DOS

IR

Vibrations