Geometry & MOs

Info

ID:	419626
PubChem CID:	135108561
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-15.67
Dipole, Da:	5.44
IP(EA), eV:	-9.0(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=NC(=CC=C4)N5C=NN=C5)OCC2

DOS

IR

Vibrations