Geometry & MOs

Info

ID:	307753
PubChem CID:	125308842
Reduced:	OSN4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	255.075625
ΔH_f, kcal/mol:	16.46
Dipole, Da:	7.07
IP(EA), eV:	-8.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitro-4-pyrazol-1-ylphenyl)-4H-pyrazole

Drug info:

PubChemData

Smile

C1CCN2CCC[C@@H]([C@@H]2C1)CN3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations