Geometry & MOs

Info

ID:	244534
PubChem CID:	99361885
Reduced:	NO3F5H16C19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	478.138338
ΔH_f, kcal/mol:	-317.92
Dipole, Da:	7.09
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N[C@H]2C[C@@H]2C3=CC=CC=C3C(F)(F)F)OC(F)F

DOS

IR

Vibrations