Geometry & MOs

Info

ID:	144378
PubChem CID:	53358694
Reduced:	N4O5F6C28H34 (1)
Stoich.:	A4B5C6D28E34 (1)
Weight, g/mol:	463.104117
ΔH_f, kcal/mol:	-520.43
Dipole, Da:	10.61
IP(EA), eV:	-9.44(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C/C=C/C[C@@H](C2=NC=C(N2)C3=CC=CC=C3C1)NC(=O)C4CCC(CC4)CN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations