Geometry & MOs

Info

ID:	29953
PubChem CID:	838487
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	291.088241
ΔH_f, kcal/mol:	51.55
Dipole, Da:	5.84
IP(EA), eV:	-8.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(diethylamino)-2,3,5,6-tetrafluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)C)C(=O)NN=CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations