Geometry & MOs

Info

ID:	250126
PubChem CID:	103094325
Reduced:	ClON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	297.16079
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	4.38
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-N-(3-chloropyridin-2-yl)-5,5-dimethylhexanamide

Drug info:

PubChemData

Smile

C1CC(CNC1)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations