Geometry & MOs

Info

ID:	405882
PubChem CID:	135075833
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	4.03
IP(EA), eV:	-9.04(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)NNC(CO)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations