Geometry & MOs

Info

ID:	355191
PubChem CID:	127288123
Reduced:	ClO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	380.197904
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	2.42
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC2=C(C=C(C=N2)C(=O)N3CCCCC3)Cl)O

DOS

IR

Vibrations