Geometry & MOs

Info

ID:	275657
PubChem CID:	103816920
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	310.027583
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	1.93
IP(EA), eV:	-9.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOCC(=O)N[C@H]1[C@H](CC2=CC=CC=C12)O

DOS

IR

Vibrations