Geometry & MOs

Info

ID:	304418
PubChem CID:	124588197
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-114.41
Dipole, Da:	6.33
IP(EA), eV:	-9.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)O

DOS

IR

Vibrations