Geometry & MOs

Info

ID:	138890
PubChem CID:	52440908
Reduced:	BrFON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	424.122161
ΔH_f, kcal/mol:	-35.98
Dipole, Da:	1.07
IP(EA), eV:	-9.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3-ethoxypropyl)-3-[4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)/C(=C\C2=C(C=C(C=C2)Br)F)/C#N

DOS

IR

Vibrations