Geometry & MOs

Info

ID:	248010
PubChem CID:	103078149
Reduced:	BrFN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	194.153147
ΔH_f, kcal/mol:	26.78
Dipole, Da:	2.91
IP(EA), eV:	-7.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(1-methylcyclopentyl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=C(C=CC(=C2)Br)F)N

DOS

IR

Vibrations