Geometry & MOs

Info

ID:	226842
PubChem CID:	87558593
Reduced:	FN2O3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	469.272927
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	2.98
IP(EA), eV:	-8.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]-3-[5-(4-methylpiperazin-1-yl)-2-phenylphenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3OC)/C=C/C(=O)C4=C(C=C(C=C4)O)F

DOS

IR

Vibrations