Geometry & MOs

Info

ID:	435924
PubChem CID:	135192803
Reduced:	OF3N6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	459.169366
ΔH_f, kcal/mol:	-51.11
Dipole, Da:	4.51
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,2-difluoroethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C23CC(C2)(C3)C4=CC(=NN4C5CC5)C6=CC(=C(N=C6)N)OC(F)(F)F

DOS

IR

Vibrations