Geometry & MOs

Info

ID:	214296
PubChem CID:	84974985
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	0.71
IP(EA), eV:	-8.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C=CC(=O)NCC2=CC=C(C=C2)N(C)C)OC

DOS

IR

Vibrations