Geometry & MOs

Info

ID:	150159
PubChem CID:	53789846
Reduced:	ClO2N4H19C25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	539.057025
ΔH_f, kcal/mol:	41.99
Dipole, Da:	5.43
IP(EA), eV:	-8.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-chlorophenyl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-2-(3,5-dichlorophenyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2NC(C3=CC=CN31)C(=O)C4=CC=C(C=C4)NC(=O)C5=C(N=CC=C5)Cl

DOS

IR

Vibrations