Geometry & MOs

Info

ID:	275819
PubChem CID:	103818116
Reduced:	NO2F3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-168.75
Dipole, Da:	0.78
IP(EA), eV:	-8.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NCC2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations