Geometry & MOs

Info

ID:	436034
PubChem CID:	135193445
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	437.259089
ΔH_f, kcal/mol:	-31.88
Dipole, Da:	2.93
IP(EA), eV:	-8.75(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]-1-ethylcyclobutyl]morpholine

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)N(C)C2CC2

DOS

IR

Vibrations