Geometry & MOs

Info

ID:	226872
PubChem CID:	87558730
Reduced:	O4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	485.267842
ΔH_f, kcal/mol:	-10.12
Dipole, Da:	1.35
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)OC(CCOC(=O)C)/C=C/C=C/C#CC#CC#CC

DOS

IR

Vibrations