Geometry & MOs

Info

ID:	137078
PubChem CID:	52150043
Reduced:	FN4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	278.096775
ΔH_f, kcal/mol:	82.2
Dipole, Da:	9.87
IP(EA), eV:	-9.1(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluorophenyl)methylamino]cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(N=NC3=CC=CC=C32)C#N)F

DOS

IR

Vibrations