Geometry & MOs

Info

ID:	32161
PubChem CID:	6435732
Reduced:	NO7C25H29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	367.214744
ΔH_f, kcal/mol:	-223.72
Dipole, Da:	16.08
IP(EA), eV:	-9.27(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[3-(diethylamino)propoxy]phenoxy]-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O

DOS

IR

Vibrations