Geometry & MOs

Info

ID:	277009
PubChem CID:	103826227
Reduced:	BrFN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	45.1
Dipole, Da:	3.05
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=C(C=C2)F)Br)C3=CC=NN3

DOS

IR

Vibrations