Geometry & MOs

Info

ID:	30683
PubChem CID:	841717
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-174.73
Dipole, Da:	7.44
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-(2,3-dihydro-1H-inden-5-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1[C@@H]([C@H]2C(=O)O)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations