Geometry & MOs

Info

ID:	186697
PubChem CID:	77468602
Reduced:	NO8C25H29 (1)
Stoich.:	AB8C25D29 (1)
Weight, g/mol:	453.191815
ΔH_f, kcal/mol:	-346.34
Dipole, Da:	2.91
IP(EA), eV:	-9.31(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-chloro-5-(2-ethenyl-5-hydroxy-4-nitrohex-4-enyl)cyclohex-3-en-1-yl]-4-oxaspiro[2.5]octan-7-yl] acetate

Drug info:

PubChemData

Smile

CCCCCC(C1=C2CC3CC4CC(=O)C(=C(C4(C(=O)C3=C(C2=C(C=C1)O)O)O)O)C(=O)N)O

DOS

IR

Vibrations