Geometry & MOs

Info

ID:	350808
PubChem CID:	127279096
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	382.177168
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	3.79
IP(EA), eV:	-8.66(-0.85)
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]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations