Geometry & MOs

Info

ID:	248077
PubChem CID:	103078765
Reduced:	N4F5H7C10 (1)
Stoich.:	A4B5C7D10 (1)
Weight, g/mol:	206.127994
ΔH_f, kcal/mol:	-144.37
Dipole, Da:	5.04
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=C(C(=C(C(=C2F)F)F)F)F)N

DOS

IR

Vibrations