Geometry & MOs

Info

ID:	280764
PubChem CID:	103851153
Reduced:	NF2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	-215.37
Dipole, Da:	3.6
IP(EA), eV:	-9.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations