Geometry & MOs

Info

ID:	247986
PubChem CID:	103077949
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	206.096775
ΔH_f, kcal/mol:	0.4
Dipole, Da:	2.49
IP(EA), eV:	-7.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(3-fluorophenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC3=C(C=C2)OCCO3)N

DOS

IR

Vibrations