Geometry & MOs

Info

ID:	226904
PubChem CID:	87558868
Reduced:	Br2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	284.307916
ΔH_f, kcal/mol:	-11.14
Dipole, Da:	2.89
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylpentyl)-6,8,8-trimethylnonan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=C(Br)Br)OCC2=CC=CC=C2/C(=N/OC)/C(=O)NC

DOS

IR

Vibrations