Geometry & MOs

Info

ID:	265298
PubChem CID:	103516791
Reduced:	BrF2N3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	309.06522
ΔH_f, kcal/mol:	-78.62
Dipole, Da:	1.65
IP(EA), eV:	-9.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,5-diethylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CC(C(F)F)N)C

DOS

IR

Vibrations