Geometry & MOs

Info

ID:	444487
PubChem CID:	135262615
Reduced:	O2F3N6C24H29 (1)
Stoich.:	A2B3C6D24E29 (1)
Weight, g/mol:	226.050905
ΔH_f, kcal/mol:	-162.92
Dipole, Da:	3.57
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CC(C(F)(F)F)O)N(N=C2)C4=CC(=NC(=N4)C)N5CC(C5)O

DOS

IR

Vibrations