Geometry & MOs

Info

ID:	435911
PubChem CID:	135192744
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	47.94
Dipole, Da:	3.97
IP(EA), eV:	-8.13(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N)C2=CN(C(=N2)CC(C)(C)C)C34CC(C3)(C4)N5CCOCC5

DOS

IR

Vibrations