Geometry & MOs

Info

ID:	32093
PubChem CID:	4266045
Reduced:	FSN2O2H25C28 (1)
Stoich.:	ABC2D2E25F28 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	-48.46
Dipole, Da:	6.94
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-nitro-N-(2-phenylphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

DOS

IR

Vibrations