Geometry & MOs

Info

ID:	375381
PubChem CID:	131500146
Reduced:	BrFNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	225.122575
ΔH_f, kcal/mol:	17.05
Dipole, Da:	3.55
IP(EA), eV:	-9.08(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)acetate

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)F)CC#N)CBr

DOS

IR

Vibrations