Geometry & MOs

Info

ID:	234743
PubChem CID:	92303419
Reduced:	Cl2N3O4H11C17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	4.75
IP(EA), eV:	-9.8(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5S)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CC(=C2)Cl)[N+](=O)[O-])NC1=O)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations