Geometry & MOs

Info

ID:	265293
PubChem CID:	103516754
Reduced:	ClF2N3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	295.04957
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	2.1
IP(EA), eV:	-9.17(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)CC(C(F)F)NC)C

DOS

IR

Vibrations