Geometry & MOs

Info

ID:	275635
PubChem CID:	103816835
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	2.51
IP(EA), eV:	-9.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations