Geometry & MOs

Info

ID:	317557
PubChem CID:	126643414
Reduced:	ClFN3O5C17H21 (1)
Stoich.:	ABC3D5E17F21 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-270.07
Dipole, Da:	6.57
IP(EA), eV:	-9.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[1-(dimethylamino)ethoxy]-2-phenylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1C(=O)O)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)OC(C)(C)C)F

DOS

IR

Vibrations