Geometry & MOs

Info

ID:	359845
PubChem CID:	127299889
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-25.41
Dipole, Da:	5.16
IP(EA), eV:	-8.74(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CC3=NN=C(N3C)C4CC4

DOS

IR

Vibrations