Geometry & MOs

Info

ID:	32164
PubChem CID:	6435738
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	626.24756
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	5.68
IP(EA), eV:	-8.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;(Z)-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=C2OCCCN3CCCCC3

DOS

IR

Vibrations