Geometry & MOs

Info

ID:	355189
PubChem CID:	127288121
Reduced:	ClN3O3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	380.197904
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	5.23
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[2-(2,2-dimethylmorpholin-4-yl)ethylamino]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(N=C2)NCC3COCCO3)Cl

DOS

IR

Vibrations