Geometry & MOs

Info

ID:	323319
PubChem CID:	126674150
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	244.071114
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	2.25
IP(EA), eV:	-9.27(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-prop-2-enyl-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NCCCNC(=O)O

DOS

IR

Vibrations