Geometry & MOs

Info

ID:	32163
PubChem CID:	6435737
Reduced:	NO10C30H37 (1)
Stoich.:	AB10C30D37 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-370.85
Dipole, Da:	32.41
IP(EA), eV:	-8.71(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-phenyl-3-[2-(3-piperidin-1-ylpropoxy)phenoxy]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC[NH+]3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

DOS

IR

Vibrations