Geometry & MOs

Info

ID:	201381
PubChem CID:	79530774
Reduced:	SN5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	249.102588
ΔH_f, kcal/mol:	88.07
Dipole, Da:	1.76
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-amino-1H-pyrazol-4-yl)methylamino]-3-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)NCC3=C(NN=C3)N

DOS

IR

Vibrations