Geometry & MOs

Info

ID:	246334
PubChem CID:	103059256
Reduced:	ON3F5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	338.00145
ΔH_f, kcal/mol:	-270.84
Dipole, Da:	4.69
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(N=C1)COCC(C(F)(F)F)(F)F

DOS

IR

Vibrations