Geometry & MOs

Info

ID:	71662
PubChem CID:	48415171
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-1.67
Dipole, Da:	3.31
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations