Geometry & MOs

Info

ID:	59570
PubChem CID:	24875319
Reduced:	ClFN2O2H12C17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	414.13036
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	1.32
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C(C=CC(=C2F)CC3=NNC(=O)C=C3)Cl

DOS

IR

Vibrations