Geometry & MOs

Info

ID:	226844
PubChem CID:	87558601
Reduced:	OC3H5 (8)
Stoich.:	AB3C5 (8)
Weight, g/mol:	439.262363
ΔH_f, kcal/mol:	-265.71
Dipole, Da:	4.41
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOCCOCCOC(C1=CC2=C(C=C1)OOC2)OCCOCCOCCCC

DOS

IR

Vibrations