Geometry & MOs

Info

ID:	406359
PubChem CID:	135077376
Reduced:	ClN2O8C15H15 (1)
Stoich.:	AB2C8D15E15 (1)
Weight, g/mol:	304.049381
ΔH_f, kcal/mol:	-158.73
Dipole, Da:	5.05
IP(EA), eV:	-10.23(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bis(2-methoxyethyl)amino]-5,6-dichloropyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C(=C\C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations