Geometry & MOs

Info

ID:	143834
PubChem CID:	53267375
Reduced:	BrFNO3H25C26 (1)
Stoich.:	ABCD3E25F26 (1)
Weight, g/mol:	485.03933
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	7.31
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-bromo-2-chlorophenyl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC

DOS

IR

Vibrations