Geometry & MOs

Info

ID:	431212
PubChem CID:	135171282
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-13.4
Dipole, Da:	1.88
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@@H]1C[C@H](COC1)N=CC2CCC3=CC=CC=C23)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations