Geometry & MOs

Info

ID:	291748
PubChem CID:	113466212
Reduced:	BrFOSN2C11H14 (1)
Stoich.:	ABCDE2F11G14 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	0.82
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pent-4-en-2-ylacetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C=C1Br)F)N)SC

DOS

IR

Vibrations