Geometry & MOs

Info

ID:	148649
PubChem CID:	53788317
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	484.223432
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	1.8
IP(EA), eV:	-8.91(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)-5-[2-(3-hydroxypropylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-N,N,5-trimethyl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CCOC=C(C)C(C(C#N)C1CCCN1C)O

DOS

IR

Vibrations