Geometry & MOs

Info

ID:	359850
PubChem CID:	127299894
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	1.64
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations