Geometry & MOs

Info

ID:	359884
PubChem CID:	127299928
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	368.242356
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	4.87
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-(3-morpholin-4-yl-3-oxopropyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3CCN(CC3)C(C)C(=O)N4CCOCC4

DOS

IR

Vibrations