Geometry & MOs

Info

ID:	174666
PubChem CID:	75804511
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	444.122728
ΔH_f, kcal/mol:	32.41
Dipole, Da:	9.09
IP(EA), eV:	-8.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]-5-methyl-1H-pyrazol-3-olate

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1)C(=C2C(=NNC2=O)C)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations