Geometry & MOs

Info

ID:	129006
PubChem CID:	51066114
Reduced:	SN4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	254.0483
ΔH_f, kcal/mol:	107.32
Dipole, Da:	3.38
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-3-fluorophenyl)hydrazinylidene]pyrazole-3,5-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)C#N)CC4=CC=CC=C4

DOS

IR

Vibrations