Geometry & MOs

Info

ID:	275913
PubChem CID:	103819064
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	5.97
IP(EA), eV:	-9.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)O

DOS

IR

Vibrations