Geometry & MOs

Info

ID:	168944
PubChem CID:	75044204
Reduced:	BrClN2O7C30H30 (1)
Stoich.:	ABC2D7E30F30 (1)
Weight, g/mol:	554.09718
ΔH_f, kcal/mol:	-218.58
Dipole, Da:	7.94
IP(EA), eV:	-8.58(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethoxy]phenyl]-3-(2-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)O)CCOC3=C(C=CC(=C3)NC(=O)C=CC4=CC=CC=C4Cl)Br.C(=O)(C(=O)O)O

DOS

IR

Vibrations