Geometry & MOs

Info

ID:	298526
PubChem CID:	117650597
Reduced:	NO2C17H37 (1)
Stoich.:	AB2C17D37 (1)
Weight, g/mol:	427.163102
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	1.27
IP(EA), eV:	-9.37(2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-hydroxy-6-methoxy-2-(methoxymethoxy)-3-(3-methylbut-2-enyl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC[C@@H](C[C@@H](CN)O)O

DOS

IR

Vibrations