Geometry & MOs

Info

ID:	150808
PubChem CID:	53790504
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	288.133714
ΔH_f, kcal/mol:	23.43
Dipole, Da:	6.24
IP(EA), eV:	-8.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylbutyl 2-[4-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations