Geometry & MOs

Info

ID:	275717
PubChem CID:	103817240
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	290.057053
ΔH_f, kcal/mol:	14.7
Dipole, Da:	5.88
IP(EA), eV:	-9.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)NCC2=CC(=CC=C2)Br

DOS

IR

Vibrations