Geometry & MOs

Info

ID:	253592
PubChem CID:	103119434
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	274.050905
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	4.91
IP(EA), eV:	-9.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(1-methylpyrazole-3-carbonyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=C(N=N2)C(=O)O)CCN)Cl

DOS

IR

Vibrations