Geometry & MOs

Info

ID:	19440
PubChem CID:	563884
Reduced:	BNO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	297.117238
ΔH_f, kcal/mol:	-185.04
Dipole, Da:	3.21
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-(1,5-dihydro-2,4,3-benzodioxaborepin-3-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

B1(OCC2=CC=CC=C2CO1)C3=CC=C(C=C3)NC(=O)OC

DOS

IR

Vibrations