Geometry & MOs

Info

ID:	66175
PubChem CID:	46500378
Reduced:	N2O4F5C15H15 (1)
Stoich.:	A2B4C5D15E15 (1)
Weight, g/mol:	376.11654
ΔH_f, kcal/mol:	-401.38
Dipole, Da:	3.22
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl)-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(C1)(C(OC(F)(F)F)(F)F)O)C(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations