Geometry & MOs

Info

ID:	413451
PubChem CID:	135086400
Reduced:	F3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	301.0246
ΔH_f, kcal/mol:	-220.17
Dipole, Da:	3.72
IP(EA), eV:	-10.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/C(=C\C2=CC=C(C=C2)C(F)(F)F)/C(=O)O

DOS

IR

Vibrations