Geometry & MOs

Info

ID:	293339
PubChem CID:	117385014
Reduced:	ClN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	253.075767
ΔH_f, kcal/mol:	11.39
Dipole, Da:	2.45
IP(EA), eV:	-8.9(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-borono-1,3-benzodioxol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=C(C=C1)C2(CCC2)CN)Cl

DOS

IR

Vibrations