Geometry & MOs

Info

ID:	265294
PubChem CID:	103516767
Reduced:	BrF2N3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	245.170354
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	2.28
IP(EA), eV:	-9.29(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethyl-2-methylpyrazol-3-yl)-1,1-difluoro-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)CC(C(F)F)NC

DOS

IR

Vibrations