Geometry & MOs

Info

ID:	359889
PubChem CID:	127299933
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	395.28964
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	4.35
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCN(CC3)C(C)C(=O)N4CCOCC4)C=C1

DOS

IR

Vibrations