Geometry & MOs

Info

ID:	144820
PubChem CID:	53418511
Reduced:	ClNO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	300.058499
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	8.24
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2,4-bis(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)Cl

DOS

IR

Vibrations