Geometry & MOs

Info

ID:	43431
PubChem CID:	10321285
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	445.177725
ΔH_f, kcal/mol:	-172.98
Dipole, Da:	5.33
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-6-[2-methyl-3-(trifluoromethyl)anilino]-4-propan-2-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)CCCC(F)(F)F)C(=O)O

DOS

IR

Vibrations