Geometry & MOs

Info

ID:	376124
PubChem CID:	134222127
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	10.01
IP(EA), eV:	-8.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C(=O)NC2CCNCC2)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations