Geometry & MOs

Info

ID:	261433
PubChem CID:	103233903
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	317.058549
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	7.93
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)CNC2=CC(=CC=C2)NC(=O)C)C(=O)O

DOS

IR

Vibrations