Geometry & MOs

Info

ID:	412493
PubChem CID:	135085388
Reduced:	NOB2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	274.157449
ΔH_f, kcal/mol:	47.85
Dipole, Da:	5.12
IP(EA), eV:	-7.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-][NH+]1[B]OC([C@@H]1C(C)C)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations