Geometry & MOs

Info

ID:	32167
PubChem CID:	6435741
Reduced:	ClNO10C28H34 (1)
Stoich.:	ABC10D28E34 (1)
Weight, g/mol:	387.160121
ΔH_f, kcal/mol:	-405.82
Dipole, Da:	6.0
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC[NH+](CC)CCOC1=C(C=C(C=C1)Cl)O/C(=C\C2=CC=CC=C2)/C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

DOS

IR

Vibrations