Geometry & MOs

Info

ID:	340919
PubChem CID:	127263354
Reduced:	ClNO3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	149.060742
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	3.17
IP(EA), eV:	-9.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(CO)N.Cl

DOS

IR

Vibrations