Geometry & MOs

Info

ID:	260262
PubChem CID:	103187021
Reduced:	OCl3N3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	305.056719
ΔH_f, kcal/mol:	3.95
Dipole, Da:	4.39
IP(EA), eV:	-9.64(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations