Geometry & MOs

Info

ID:	275680
PubChem CID:	103817049
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	242.057053
ΔH_f, kcal/mol:	19.04
Dipole, Da:	6.21
IP(EA), eV:	-9.14(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamidoethyl)-5-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)N(C)CC2=CC=CC=C2Br

DOS

IR

Vibrations