Geometry & MOs

Info

ID:	231658
PubChem CID:	87574401
Reduced:	ClN3H8C13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	510.410437
ΔH_f, kcal/mol:	96.28
Dipole, Da:	4.19
IP(EA), eV:	-9.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-5-oxo-5-trioctylsilyloxypent-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC(=N2)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations