Geometry & MOs

Info

ID:	435910
PubChem CID:	135192743
Reduced:	OF3N4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-107.81
Dipole, Da:	5.98
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC(C)C1=NC(=CN1C23CC(C2)(C3)N4CCOCC4)C5=CC(=C(N=C5)C)C(F)(F)F

DOS

IR

Vibrations