Geometry & MOs

Info

ID:	404751
PubChem CID:	135070508
Reduced:	NOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	309.98163
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	3.26
IP(EA), eV:	-9.17(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromophenyl)-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC(/C=C/C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations