Geometry & MOs

Info

ID:	323794
PubChem CID:	126676193
Reduced:	SF3O4N7H28C29 (1)
Stoich.:	AB3C4D7E28F29 (1)
Weight, g/mol:	262.03169
ΔH_f, kcal/mol:	-179.23
Dipole, Da:	2.05
IP(EA), eV:	-8.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(bromomethyl)-1,5-dihydropyrazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COC)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CNC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations