Geometry & MOs

Info

ID:	261716
PubChem CID:	103247030
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	7.17
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-chlorophenyl)ethylamino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CCNCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations