Geometry & MOs

Info

ID:	328472
PubChem CID:	126723182
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	171.069557
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	2.48
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E)-4-fluoro-3-methyl-2-[(methylideneamino)methylidene]pent-3-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1C(=O)NC2=NC=C(C=C2)C(C)C3=CN=C(C=C3)OC)F

DOS

IR

Vibrations