Geometry & MOs

Info

ID:	363896
PubChem CID:	127313553
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	4.17
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations