Geometry & MOs

Info

ID:	435918
PubChem CID:	135192764
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	418.198046
ΔH_f, kcal/mol:	61.81
Dipole, Da:	3.34
IP(EA), eV:	-8.23(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)pyridin-3-yl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations