Geometry & MOs

Info

ID:	189325
PubChem CID:	77840382
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	548.371713
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	3.8
IP(EA), eV:	-9.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COCC1=NC(=NC(=O)C1OC)CC=C

DOS

IR

Vibrations