Geometry & MOs

Info

ID:	16349
PubChem CID:	465045
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	2.82
IP(EA), eV:	-10.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyldecan-2-yl 5-chloropyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC(C)(C)OC(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations