Geometry & MOs

Info

ID:	32165
PubChem CID:	6435739
Reduced:	N2O11C32H38 (1)
Stoich.:	A2B11C32D38 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-370.16
Dipole, Da:	7.74
IP(EA), eV:	-8.6(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCCN3CCN(CC3)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations