Geometry & MOs

Info

ID:	258188
PubChem CID:	103151770
Reduced:	BrF2O2N4C11H19 (1)
Stoich.:	AB2C2D4E11F19 (1)
Weight, g/mol:	297.140117
ΔH_f, kcal/mol:	-144.06
Dipole, Da:	6.7
IP(EA), eV:	-7.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,2-difluoroethoxy)-1-(3-phenyltriazol-4-yl)propyl]hydrazine

Drug info:

PubChemData

Smile

COCCN1C(=C(C=N1)Br)C(CCOCC(F)F)NN

DOS

IR

Vibrations