Geometry & MOs

Info

ID:	230708
PubChem CID:	87571701
Reduced:	ClN2O10C21H31 (1)
Stoich.:	AB2C10D21E31 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-190.09
Dipole, Da:	17.59
IP(EA), eV:	-10.56(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-prop-2-ynoxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[N+]1(C[C@@H]1CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)OC(C)(C)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations