Geometry & MOs

Info

ID:	32168
PubChem CID:	6435742
Reduced:	ClNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	565.207859
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	2.36
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[5-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]phenoxy]-4-phenylbut-3-en-2-one;2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=C(C=C(C=C1)Cl)O/C(=C/C2=CC=CC=C2)/C(=O)C

DOS

IR

Vibrations