Geometry & MOs

Info

ID:	337245
PubChem CID:	127256810
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	414.9667
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	4.29
IP(EA), eV:	-8.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C\2/CCOC2=O

DOS

IR

Vibrations