Geometry & MOs

Info

ID:	425287
PubChem CID:	135125822
Reduced:	ClN2O2H23C24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	242.086684
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	4.8
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-cyclopropylpyrazin-2-yl)-2,2-difluoroacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=CC=C2)C3=CC4=C(C=C3)OC5(CC4)CCN(CC5)C(=O)Cl

DOS

IR

Vibrations