Geometry & MOs

Info

ID:	25343
PubChem CID:	623376
Reduced:	N6F10H10C17 (1)
Stoich.:	A6B10C10D17 (1)
Weight, g/mol:	446.002352
ΔH_f, kcal/mol:	-356.31
Dipole, Da:	6.45
IP(EA), eV:	-9.68(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN3C(=NN=C3C(F)(F)F)C=C2)C4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F

DOS

IR

Vibrations