Geometry & MOs

Info

ID:	420367
PubChem CID:	135112745
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	4.36
IP(EA), eV:	-8.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-acetamidophenyl)methyl]-2-(3-cyanopiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C3C[C@@H]4CC(C[C@@H]4C3)O

DOS

IR

Vibrations