Geometry & MOs

Info

ID:	446173
PubChem CID:	135272934
Reduced:	ON8C27H28 (1)
Stoich.:	AB8C27D28 (1)
Weight, g/mol:	481.186238
ΔH_f, kcal/mol:	111.75
Dipole, Da:	9.9
IP(EA), eV:	-9.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]-6-(furan-2-yl)pyrimidin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N[C@@H]5CCC[C@H]5O

DOS

IR

Vibrations