Geometry & MOs

Info

ID:	364941
PubChem CID:	127316589
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	7.21
Dipole, Da:	4.63
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCN(CC3)C4CCC4)C

DOS

IR

Vibrations