Geometry & MOs

Info

ID:	446175
PubChem CID:	135272959
Reduced:	O2N8C27H28 (1)
Stoich.:	A2B8C27D28 (1)
Weight, g/mol:	556.233522
ΔH_f, kcal/mol:	83.83
Dipole, Da:	9.92
IP(EA), eV:	-9.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)NC(=O)COC

DOS

IR

Vibrations