Geometry & MOs

Info

ID:	178881
PubChem CID:	76395623
Reduced:	O4C11H12 (2)
Stoich.:	A4B11C12 (2)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-270.51
Dipole, Da:	5.98
IP(EA), eV:	-8.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-hydroxyethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=C(CC2=CC(=C(C=C2)OC)OC)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations