Geometry & MOs

Info

ID:	181268
PubChem CID:	76725585
Reduced:	ClN2O5C28H31 (1)
Stoich.:	AB2C5D28E31 (1)
Weight, g/mol:	472.212885
ΔH_f, kcal/mol:	-177.69
Dipole, Da:	4.71
IP(EA), eV:	-9.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(3-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)C3=CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations