Geometry & MOs

Info

ID:	177446
PubChem CID:	76186530
Reduced:	BrO4C24H35 (1)
Stoich.:	AB4C24D35 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	3.2
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(CBr)C(C=CC(=CCCC(C(C=C)OC)O)C)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations