Geometry & MOs

Info

ID:	431090
PubChem CID:	135171160
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	27.94
Dipole, Da:	3.66
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=NO2)C3CC3)C(=O)C4=CC5=C(N4)C=CC=N5

DOS

IR

Vibrations