Geometry & MOs

Info

ID:	282392
PubChem CID:	103925105
Reduced:	BrNO2F3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	233.164046
ΔH_f, kcal/mol:	-222.47
Dipole, Da:	6.45
IP(EA), eV:	-9.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(C=C(C=C1)Br)C(F)(F)F

DOS

IR

Vibrations