Geometry & MOs

Info

ID:	140208
PubChem CID:	52663018
Reduced:	ClFO2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	377.115125
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	3.39
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)F)C

DOS

IR

Vibrations