Geometry & MOs

Info

ID:	338492
PubChem CID:	127259184
Reduced:	Br2N2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	277.997345
ΔH_f, kcal/mol:	-87.44
Dipole, Da:	2.97
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(6-amino-3,5-dichloropyrazin-2-yl)amino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2Br)Br)C(=N1)OCCOC(=O)C

DOS

IR

Vibrations