Geometry & MOs

Info

ID:	2025
PubChem CID:	5614
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	13.61
Dipole, Da:	5.66
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N

DOS

IR

Vibrations