Geometry & MOs

Info

ID:	350323
PubChem CID:	127277401
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	2.7
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-2-hydroxyethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)C2CSCN2C(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations