Geometry & MOs

Info

ID:	431040
PubChem CID:	135171110
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-184.07
Dipole, Da:	2.93
IP(EA), eV:	-9.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-(1,2-oxazol-4-ylmethylamino)cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations