Geometry & MOs

Info

ID:	163807
PubChem CID:	74380484
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	7.19
IP(EA), eV:	-9.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(carboxymethyl)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)C2C3CCC(C2C(=O)O)O3

DOS

IR

Vibrations