Geometry & MOs

Info

ID:	195139
PubChem CID:	78642389
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	388.032536
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	4.88
IP(EA), eV:	-9.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyloxymethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CNC(=O)C(C)OC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations