Geometry & MOs

Info

ID:	170877
PubChem CID:	75291288
Reduced:	ON7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	232.16346
ΔH_f, kcal/mol:	103.49
Dipole, Da:	5.38
IP(EA), eV:	-8.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-6-methyl-2-phenyl-1,3,2-dioxaborinane

Drug info:

PubChemData

Smile

CC1CCCCN1C2=NC(=NC(=C2)C3=CC4=C5C(=C3)OC6C=CC=CC6=NC5=NN4)N

DOS

IR

Vibrations