Geometry & MOs

Info

ID:	261071
PubChem CID:	103216297
Reduced:	ICl2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	327.132524
ΔH_f, kcal/mol:	55.99
Dipole, Da:	3.2
IP(EA), eV:	-9.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chloro-2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)Cl)C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations