Geometry & MOs

Info

ID:	402397
PubChem CID:	135055836
Reduced:	FNO2H18C22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-52.4
Dipole, Da:	5.86
IP(EA), eV:	-9.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aS,5E,8Z,9aR)-5-(methoxymethyl)-1,3,3a,4,7,9a-hexahydrocyclopenta[8]annulene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations