Geometry & MOs

Info

ID:	350047
PubChem CID:	127276920
Reduced:	O2N5C21H37 (1)
Stoich.:	A2B5C21D37 (1)
Weight, g/mol:	394.213554
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	5.96
IP(EA), eV:	-8.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(C)C(=O)NC3=CC=NN3C(C)C

DOS

IR

Vibrations