Geometry & MOs

Info

ID:	71210
PubChem CID:	48414455
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	3.67
IP(EA), eV:	-9.13(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations