Geometry & MOs

Info

ID:	296894
PubChem CID:	117599838
Reduced:	F2O2N3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	3.7
IP(EA), eV:	-9.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-cyclohexyl-3-(oxan-4-yl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one

Drug info:

PubChemData

Smile

C1CC1C2(C(=O)N(C(=N2)N)C3CCOCC3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations