Geometry & MOs

Info

ID:	355192
PubChem CID:	127288124
Reduced:	ClO2N4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	366.182254
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	4.7
IP(EA), eV:	-8.73(-0.38)
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]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC2=C(C=C(C=N2)C(=O)N3CCCCC3)Cl)C

DOS

IR

Vibrations