Geometry & MOs

Info

ID:	139368
PubChem CID:	52518648
Reduced:	N3O3C21H26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	9.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.113008
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-3-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations