Geometry & MOs

Info

ID:	230529
PubChem CID:	87571263
Reduced:	NOC12H21 (2)
Stoich.:	ABC12D21 (2)
Weight, g/mol:	284.214016
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	4.64
IP(EA), eV:	-9.26(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene;2,6-ditert-butylphenol

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N\OCCCN)/C(C1CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCC4O)C)(C)C

DOS

IR

Vibrations