Geometry & MOs

Info

ID:	80688
PubChem CID:	49835889
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	230.91989
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	2.84
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

COC(=O)CN1C2=C(C=C(C=C2)F)C(=N1)C3=CC=CC=C3

DOS

IR

Vibrations