Geometry & MOs

Info

ID:	275709
PubChem CID:	103817200
Reduced:	ClN3O5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	287.103669
ΔH_f, kcal/mol:	-113.1
Dipole, Da:	6.02
IP(EA), eV:	-10.21(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CCC(=O)OC)C(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations