Geometry & MOs

Info

ID:	75785
PubChem CID:	48423977
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-81.45
Dipole, Da:	5.69
IP(EA), eV:	-8.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CN(C(=O)C=C1)CC2=CC=CC=C2Cl)OCC3CC3

DOS

IR

Vibrations