Geometry & MOs

Info

ID:	24698
PubChem CID:	612313
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	3.94
IP(EA), eV:	-8.75(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-isocyanophenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]#[C-]

DOS

IR

Vibrations