Geometry & MOs

Info

ID:	141116
PubChem CID:	52820751
Reduced:	ClON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	9.15
Dipole, Da:	4.28
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C3C(=C(C=C2)Cl)C=CC=N3)C(=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations