Geometry & MOs

Info

ID:	71715
PubChem CID:	48415252
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	327.138305
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	6.43
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations