Geometry & MOs

Info

ID:	184506
PubChem CID:	77170640
Reduced:	NO2C26H37 (2)
Stoich.:	AB2C26D37 (2)
Weight, g/mol:	394.271924
ΔH_f, kcal/mol:	-220.35
Dipole, Da:	5.49
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethenyl-13-ethyl-5-hydroxy-1,4,6,7-tetramethyl-10-oxo-2-bicyclo[9.2.0]tridecanyl) 2-hydroxyacetate

Drug info:

PubChemData

Smile

CCCCCC(CCCCC)(C(C1=CC=CC2=CC=CC=C21)NC(=O)C3(CCCCC3)C(=O)NC(C4=CC=CC5=CC=CC=C54)C(CCCCC)(CCCCC)O)O

DOS

IR

Vibrations