Geometry & MOs

Info

ID:	169304
PubChem CID:	75086960
Reduced:	ClNO2F3H17C23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	391.133907
ΔH_f, kcal/mol:	-161.74
Dipole, Da:	4.36
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations