Geometry & MOs

Info

ID:	50336
PubChem CID:	12012857
Reduced:	BON2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	224.112093
ΔH_f, kcal/mol:	-75.04
Dipole, Da:	4.25
IP(EA), eV:	-8.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-hydroxy-1H-benzo[f][2,4,1]benzodiazaborinine

Drug info:

PubChemData

Smile

B1(C2=C(C=CC(=C2)C)NC(=N1)CC)O

DOS

IR

Vibrations