Geometry & MOs

Info

ID:	138889
PubChem CID:	52440906
Reduced:	BrN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	350.043
ΔH_f, kcal/mol:	4.64
Dipole, Da:	3.9
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-cyclohexylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)O)Br)/C#N

DOS

IR

Vibrations