Geometry & MOs

Info

ID:	411752
PubChem CID:	135084586
Reduced:	P2N3C38H41 (1)
Stoich.:	A2B3C38D41 (1)
Weight, g/mol:	162.109019
ΔH_f, kcal/mol:	106.74
Dipole, Da:	2.78
IP(EA), eV:	-7.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-2-phenyl-1,3,2-oxazaborolidin-3-ium

Drug info:

PubChemData

Smile

CC(C)P(=N)(/C=C(/C1=CC=CC=C1)\NC2=CC=CC=C2P(=NC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

DOS

IR

Vibrations