Geometry & MOs

Info

ID:	286904
PubChem CID:	104223459
Reduced:	BrFON3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	268.107259
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	4.61
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)OC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations