Geometry & MOs

Info

ID:	309830
PubChem CID:	126561225
Reduced:	F3O3N6H23C25 (1)
Stoich.:	A3B3C6D23E25 (1)
Weight, g/mol:	493.03612
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	3.31
IP(EA), eV:	-9.42(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC(=NO2)C(C)C)C(C=C)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N

DOS

IR

Vibrations