Geometry & MOs

Info

ID:	371805
PubChem CID:	131271733
Reduced:	FIO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	1.98
IP(EA), eV:	-9.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethylmorpholin-4-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1I)F)O

DOS

IR

Vibrations