Geometry & MOs

Info

ID:	166031
PubChem CID:	74628034
Reduced:	N2O5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-140.53
Dipole, Da:	8.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.863005
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-phenylethyl]-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4)OC

DOS

IR

Vibrations