Geometry & MOs

Info

ID:	163809
PubChem CID:	74380486
Reduced:	NO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-235.61
Dipole, Da:	8.07
IP(EA), eV:	-9.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(C(C1O2)C(=O)NC3=CC=CC(=C3)CC(=O)O)C(=O)O

DOS

IR

Vibrations