Geometry & MOs

Info

ID:	32170
PubChem CID:	6435744
Reduced:	ClNO3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	435.136799
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	3.64
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations