Geometry & MOs

Info

ID:	144379
PubChem CID:	53358854
Reduced:	Cl2O2F3N3C20H22 (1)
Stoich.:	A2B2C3D3E20F22 (1)
Weight, g/mol:	413.148175
ΔH_f, kcal/mol:	-218.44
Dipole, Da:	2.83
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)OC)CC2CCC(CC2)NC(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations