Geometry & MOs

Info

ID:	260266
PubChem CID:	103187158
Reduced:	ClO3N4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	243.077454
ΔH_f, kcal/mol:	-112.82
Dipole, Da:	3.92
IP(EA), eV:	-9.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-methoxypropyl)-N-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations