Geometry & MOs

Info

ID:	204432
PubChem CID:	79965281
Reduced:	BrOF3N3C11H15 (1)
Stoich.:	ABC3D3E11F15 (1)
Weight, g/mol:	302.081302
ΔH_f, kcal/mol:	-190.71
Dipole, Da:	3.78
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(3,3,3-trifluoropropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1Br)COC)CCC(F)(F)F

DOS

IR

Vibrations