Geometry & MOs

Info

ID:	186090
PubChem CID:	77389629
Reduced:	F3O7H33C34 (1)
Stoich.:	A3B7C33D34 (1)
Weight, g/mol:	290.079038
ΔH_f, kcal/mol:	-354.58
Dipole, Da:	5.96
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxy-3-oxoprop-1-enyl)phenoxy]carbonylbut-3-enoic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C=CC(=O)OCCOC(=O)C(=C)CC(=O)OC2=CC(=C(C=C2)C3=CC(=C(C=C3)F)F)F

DOS

IR

Vibrations