Geometry & MOs

Info

ID:	201678
PubChem CID:	79568611
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	3.59
IP(EA), eV:	-9.82(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)aniline

Drug info:

PubChemData

Smile

CCCOCC1CCCCC(=O)C1

DOS

IR

Vibrations