Geometry & MOs

Info

ID:	273005
PubChem CID:	103770282
Reduced:	F2O2N3C9H13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	309.01349
ΔH_f, kcal/mol:	-162.29
Dipole, Da:	7.4
IP(EA), eV:	-9.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dichlorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NCC(C(F)F)O)C

DOS

IR

Vibrations