Geometry & MOs

Info

ID:	410976
PubChem CID:	135083780
Reduced:	ON2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	300.00696
ΔH_f, kcal/mol:	41.67
Dipole, Da:	1.23
IP(EA), eV:	-9.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-1,3-dihydro-1,3,2-benzodiazaborinin-4-one

Drug info:

PubChemData

Smile

C1=CN(C=C1)C(=O)/C=C/C2=CC=NC=C2

DOS

IR

Vibrations