Geometry & MOs

Info

ID:	348031
PubChem CID:	127273093
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	3.33
IP(EA), eV:	-8.62(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)CC3=NOC(=C3)C

DOS

IR

Vibrations