Geometry & MOs

Info

ID:	246067
PubChem CID:	103041211
Reduced:	ClNF4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	281.109503
ΔH_f, kcal/mol:	-209.35
Dipole, Da:	4.39
IP(EA), eV:	-9.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)F)Cl)CNCC(F)(F)F

DOS

IR

Vibrations