Geometry & MOs

Info

ID:	276966
PubChem CID:	103826027
Reduced:	ClISN2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	368.95297
ΔH_f, kcal/mol:	69.4
Dipole, Da:	3.82
IP(EA), eV:	-8.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)I)NCC2=NC=CS2

DOS

IR

Vibrations