Geometry & MOs

Info

ID:	163808
PubChem CID:	74380485
Reduced:	NO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-234.53
Dipole, Da:	9.75
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations