Geometry & MOs

Info

ID:	170557
PubChem CID:	75252151
Reduced:	SN5O9C49H55 (1)
Stoich.:	AB5C9D49E55 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-271.26
Dipole, Da:	4.81
IP(EA), eV:	-8.94(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dimethylnon-4-ene-3,7-diol

Drug info:

PubChemData

Smile

CCC(C(=O)NS(=O)(=O)C1=CC=CC=C1C=C)NC(=O)C(C2=CC(=C(C=C2)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5)C=C)NC(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations