Geometry & MOs

Info

ID:	441702
PubChem CID:	135241388
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	546.212787
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	7.03
IP(EA), eV:	-10.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)O)C1(CCC1)C2=CC=CC(=N2)CO

DOS

IR

Vibrations