Geometry & MOs

Info

ID:	248009
PubChem CID:	103078126
Reduced:	N6C11H22 (1)
Stoich.:	A6B11C22 (1)
Weight, g/mol:	298.02294
ΔH_f, kcal/mol:	49.16
Dipole, Da:	3.48
IP(EA), eV:	-7.72(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC2=NN(C=C2N)C

DOS

IR

Vibrations