Geometry & MOs

Info

ID:	363822
PubChem CID:	127313479
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	6.11
IP(EA), eV:	-8.96(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations