Geometry & MOs

Info

ID:	275624
PubChem CID:	103816792
Reduced:	ClN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	2.04
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=NC(=CC=C3)Cl)O

DOS

IR

Vibrations