Geometry & MOs

Info

ID:	424525
PubChem CID:	135123000
Reduced:	BrNF2H6C10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	361.117489
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	1.88
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-5-(2-phenyl-1,2,4-triazol-3-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

C1=CN(C(=C1)Br)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations