Geometry & MOs

Info

ID:	71212
PubChem CID:	48414458
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	51.69
Dipole, Da:	4.71
IP(EA), eV:	-9.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations