Geometry & MOs

Info

ID:	314706
PubChem CID:	126622782
Reduced:	NH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	332.307916
ΔH_f, kcal/mol:	76.31
Dipole, Da:	4.73
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2-methylpropyl)-4-nonylphenol

Drug info:

PubChemData

Smile

C1CNCC2=CC(=C(C=C21)C#N)C3=CC=CC=C3

DOS

IR

Vibrations