Geometry & MOs

Info

ID:	275658
PubChem CID:	103816923
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	2.64
IP(EA), eV:	-9.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)C3=CC(=C(N3)Cl)Cl)O

DOS

IR

Vibrations