Geometry & MOs

Info

ID:	82660
PubChem CID:	49856297
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	545.201894
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	4.4
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-3,3-bis(3,5-dimethylphenyl)-1-phenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)NC(=O)[C@@H]2CCCN2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations