Geometry & MOs

Info

ID:	276967
PubChem CID:	103826028
Reduced:	ClIN3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	268.051574
ΔH_f, kcal/mol:	102.01
Dipole, Da:	5.85
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-4-cyanoanilino)methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)I)NCC2=CC(=NC=C2)C#N

DOS

IR

Vibrations