Geometry & MOs

Info

ID:	144555
PubChem CID:	53385005
Reduced:	F3N4O4H31C33 (1)
Stoich.:	A3B4C4D31E33 (1)
Weight, g/mol:	482.191818
ΔH_f, kcal/mol:	-211.1
Dipole, Da:	6.07
IP(EA), eV:	-8.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-difluorophenyl)-4-[methyl(pyridin-3-yl)amino]phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)N(C)C5=CC=CC=N5.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations