Geometry & MOs

Info

ID:	352166
PubChem CID:	127283234
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	368.161518
ΔH_f, kcal/mol:	2.93
Dipole, Da:	4.75
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[2-(3-methylmorpholin-4-yl)ethylamino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1COCCN1CCNC2=C(C=C3CCCC3=N2)C#N

DOS

IR

Vibrations