Geometry & MOs

Info

ID:	275590
PubChem CID:	103816709
Reduced:	NF2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-133.47
Dipole, Da:	2.96
IP(EA), eV:	-9.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations