Geometry & MOs

Info

ID:	446176
PubChem CID:	135272963
Reduced:	ON4H14C16 (2)
Stoich.:	AB4C14D16 (2)
Weight, g/mol:	592.233522
ΔH_f, kcal/mol:	145.9
Dipole, Da:	9.21
IP(EA), eV:	-9.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanophenyl)-6-[1-[[6-(1-phenylethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CC(C1CC1)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)NC(=O)COC6=CC=CC=C6

DOS

IR

Vibrations