Geometry & MOs

Info

ID:	431220
PubChem CID:	135171290
Reduced:	O4N5C26H31 (1)
Stoich.:	A4B5C26D31 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	3.3
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-N-ethyl-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](C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations