Geometry & MOs

Info

ID:	351291
PubChem CID:	127280179
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	6.6
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations