Geometry & MOs

Info

ID:	435167
PubChem CID:	135182927
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	257.046823
ΔH_f, kcal/mol:	-31.02
Dipole, Da:	4.85
IP(EA), eV:	-7.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CNC1=CC2=C(C=C1)N(C(=O)N2)C3CCCCC3

DOS

IR

Vibrations