Geometry & MOs

Info

ID:	373666
PubChem CID:	131318483
Reduced:	BO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	395.201637
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	6.41
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]butyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations