Geometry & MOs

Info

ID:	272982
PubChem CID:	103769588
Reduced:	F2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	179.075785
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	7.26
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,3-difluoro-2-hydroxypropyl)but-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)NCC(C(F)F)O

DOS

IR

Vibrations