Geometry & MOs

Info

ID:	68
PubChem CID:	2052
Reduced:	NOH3C5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	186.042927
ΔH_f, kcal/mol:	18.74
Dipole, Da:	5.24
IP(EA), eV:	-9.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=C(C#N)C#N)O)O

DOS

IR

Vibrations