Geometry & MOs

Info

ID:	431089
PubChem CID:	135171159
Reduced:	PSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-59.56
Dipole, Da:	4.6
IP(EA), eV:	-8.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)N/C(=C/4\C(=O)C5=C(C=CS5)N(C4=O)CP)/N3

DOS

IR

Vibrations