Geometry & MOs

Info

ID:	275777
PubChem CID:	103817656
Reduced:	NO2F3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	-193.03
Dipole, Da:	3.83
IP(EA), eV:	-8.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2,4-dimethoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NCC2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations