Geometry & MOs

Info

ID:	359857
PubChem CID:	127299901
Reduced:	O3N4C21H38 (1)
Stoich.:	A3B4C21D38 (1)
Weight, g/mol:	395.172417
ΔH_f, kcal/mol:	-154.32
Dipole, Da:	6.56
IP(EA), eV:	-8.57(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)N(C1CCCC1)C(=O)CN2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations