Geometry & MOs

Info

ID:	211427
PubChem CID:	80947769
Reduced:	BrFON4C13H14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	1.84
IP(EA), eV:	-9.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxyphenyl]methanol

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Br)F)NN

DOS

IR

Vibrations