Geometry & MOs

Info

ID:	168446
PubChem CID:	74968732
Reduced:	N2O3C29H34 (1)
Stoich.:	A2B3C29D34 (1)
Weight, g/mol:	404.329045
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	3.52
IP(EA), eV:	-8.24(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3-(6-hydroxy-6-methylheptan-2-yl)-2,2-dimethylcyclohexyl]prop-2-enylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)C(CC2=CC=NC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

DOS

IR

Vibrations