Geometry & MOs

Info

ID:	176102
PubChem CID:	75997069
Reduced:	BrClNO3C21H23 (1)
Stoich.:	ABCD3E21F23 (1)
Weight, g/mol:	479.10961
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	5.55
IP(EA), eV:	-8.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Br)Cl)OC

DOS

IR

Vibrations