Geometry & MOs

Info

ID:	172613
PubChem CID:	75530016
Reduced:	ClFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	239.100081
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	2.67
IP(EA), eV:	-8.2(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,2-difluoroethanamine;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=C(C=C(C=C2)N)F.Cl

DOS

IR

Vibrations