Geometry & MOs

Info

ID:	13924
PubChem CID:	400034
Reduced:	BrFON3H13C22 (1)
Stoich.:	ABCD3E13F22 (1)
Weight, g/mol:	433.0226
ΔH_f, kcal/mol:	57.46
Dipole, Da:	3.0
IP(EA), eV:	-9.06(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-6-bromo-N-(4-fluorophenyl)chromen-2-imine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=C(C=C5)F

DOS

IR

Vibrations