Geometry & MOs

Info

ID:	29076
PubChem CID:	831447
Reduced:	FN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-116.62
Dipole, Da:	2.24
IP(EA), eV:	-9.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4S)-3-[(3-methoxycarbonylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=O)NCCC2=CC=C(C=C2)F

DOS

IR

Vibrations