Geometry & MOs

Info

ID:	258019
PubChem CID:	103149986
Reduced:	OF2N2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	289.196569
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	1.56
IP(EA), eV:	-9.09(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(2,5-dimethylpyrazol-3-yl)-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)F)C1=C(C=CN=C1)C

DOS

IR

Vibrations