Geometry & MOs

Info

ID:	161686
PubChem CID:	57392328
Reduced:	BrNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	433.108086
ΔH_f, kcal/mol:	-65.19
Dipole, Da:	6.94
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylphenoxy)-N-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations