Geometry & MOs

Info

ID:	143821
PubChem CID:	53267293
Reduced:	BrFN2O2H16C19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	499.07945
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	6.06
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations