Geometry & MOs

Info

ID:	71211
PubChem CID:	48414457
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	82.01
Dipole, Da:	4.93
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations