Geometry & MOs

Info

ID:	172264
PubChem CID:	75487002
Reduced:	BSN3O4C18H26 (1)
Stoich.:	ABC3D4E18F26 (1)
Weight, g/mol:	252.128137
ΔH_f, kcal/mol:	-192.03
Dipole, Da:	8.22
IP(EA), eV:	-9.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=CC=C(C=C3)S(=O)(=O)NCCC

DOS

IR

Vibrations