Geometry & MOs

Info

ID:	270939
PubChem CID:	103638855
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	3.12
IP(EA), eV:	-9.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N[C@@H]2[C@@H](CC3=CC=CC=C23)O.Cl

DOS

IR

Vibrations