Geometry & MOs

Info

ID:	431218
PubChem CID:	135171288
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-29.56
Dipole, Da:	1.74
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@@H]4CCC5=CC=CC=C45

DOS

IR

Vibrations