Geometry & MOs

Info

ID:	181497
PubChem CID:	76750953
Reduced:	F3O4N5C18H22 (1)
Stoich.:	A3B4C5D18E22 (1)
Weight, g/mol:	449.167474
ΔH_f, kcal/mol:	-307.84
Dipole, Da:	6.95
IP(EA), eV:	-10.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)-2-methyl-4-[1-(6-oxo-3H-pyridine-3-carbonyl)piperidin-4-yl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C=C(C=C2)C(=O)N=C(N)N)C(F)(F)F)C(=O)C(CC(=O)O)N

DOS

IR

Vibrations