Geometry & MOs

Info

ID:	164610
PubChem CID:	74426009
Reduced:	BNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	322.148873
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	3.34
IP(EA), eV:	-9.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(1-methoxyethyl)phenyl]-3a,7a-dihydro-1,3,2-benzodioxaborol-4-yl]pyrazole

Drug info:

PubChemData

Smile

B1(OC2C=CC=C(C2O1)C3=CC=NC=C3)C4=CC=CC=C4C(C)OC

DOS

IR

Vibrations