Geometry & MOs

Info

ID:	50327
PubChem CID:	12012847
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	390.111676
ΔH_f, kcal/mol:	44.6
Dipole, Da:	4.67
IP(EA), eV:	-10.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(3,4-dicyanophenoxy)methyl]phenyl]methoxy]benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)N4C(=NN=N4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations