Geometry & MOs

Info

ID:	126627
PubChem CID:	50970644
Reduced:	ON3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	279.11201
ΔH_f, kcal/mol:	66.14
Dipole, Da:	7.25
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenoxy]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/CN2CCC(C2)C3=CC(=NC=C3)C4=CC=NC=C4

DOS

IR

Vibrations