Geometry & MOs

Info

ID:	413450
PubChem CID:	135086399
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	322.081679
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	6.16
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-phenylmethoxy-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(/C(=O)O)\OCC2=CC=CC=C2

DOS

IR

Vibrations