Geometry & MOs

Info

ID:	312489
PubChem CID:	126605800
Reduced:	NC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	374.02122
ΔH_f, kcal/mol:	13.35
Dipole, Da:	3.75
IP(EA), eV:	-8.58(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-7-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

C1CCC(=C(CC1)N)C=N

DOS

IR

Vibrations