Geometry & MOs

Info

ID:	184729
PubChem CID:	77199974
Reduced:	LiSiN2O5C19H27 (1)
Stoich.:	ABC2D5E19F27 (1)
Weight, g/mol:	435.277344
ΔH_f, kcal/mol:	-203.44
Dipole, Da:	22.55
IP(EA), eV:	-7.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-cyclohexylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)[Si](C)(C)OCC1COCCN1C2=NC3=C(C=CC=C3O2)C(=O)[O-]

DOS

IR

Vibrations