Geometry & MOs

Info

ID:	261067
PubChem CID:	103216164
Reduced:	NO2F3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	299.101224
ΔH_f, kcal/mol:	-236.12
Dipole, Da:	3.6
IP(EA), eV:	-8.77(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C(COCC(F)(F)F)N

DOS

IR

Vibrations