Geometry & MOs

Info

ID:	43278
PubChem CID:	10320630
Reduced:	ClON2C27H29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	433.205322
ΔH_f, kcal/mol:	3.94
Dipole, Da:	2.58
IP(EA), eV:	-9.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[2-(dimethylamino)ethoxy]-5-(3,5-dimethylphenyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=C(C=NC(=C1)C)C(C2=CC=C(C=C2)C3=CC=CC=C3C4=NC(CO4)(C)C)Cl

DOS

IR

Vibrations