Geometry & MOs

Info

ID:	297297
PubChem CID:	117614644
Reduced:	O2F3N5H20C22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	176.014126
ΔH_f, kcal/mol:	-152.67
Dipole, Da:	4.34
IP(EA), eV:	-9.6(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methylbenzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1[C@H]2CN(CC2CC1C3=CC=CC=C3C(F)(F)F)C(=O)C4=NN=C5N4C=C(C=C5)C(=O)N

DOS

IR

Vibrations