Geometry & MOs

Info

ID:	137077
PubChem CID:	52150042
Reduced:	ClN4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	278.096775
ΔH_f, kcal/mol:	119.4
Dipole, Da:	8.26
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluorophenyl)methylamino]cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N=N2)C#N)NCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations