Geometry & MOs

Info

ID:	149026
PubChem CID:	53788697
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	518.207782
ΔH_f, kcal/mol:	-8.0
Dipole, Da:	2.7
IP(EA), eV:	-8.31(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(CC1=CC2=CC=CC=C2N1)C(C)CC

DOS

IR

Vibrations