Geometry & MOs

Info

ID:	186330
PubChem CID:	77421230
Reduced:	BNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	418.218964
ΔH_f, kcal/mol:	-252.43
Dipole, Da:	1.69
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(C)(NC(CC1=CC=C(C=C1)C2=CC=CC=C2)CC3(C(=O)OC(OC3=O)(C)C)C)O

DOS

IR

Vibrations