Geometry & MOs

Info

ID:	16350
PubChem CID:	465055
Reduced:	ClN2O2C19H31 (1)
Stoich.:	AB2C2D19E31 (1)
Weight, g/mol:	354.207406
ΔH_f, kcal/mol:	-109.29
Dipole, Da:	2.76
IP(EA), eV:	-10.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyltridecan-6-yl 5-chloropyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC(C)(CCCCC)OC(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations