Geometry & MOs

Info

ID:	329171
PubChem CID:	126731491
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	451.087466
ΔH_f, kcal/mol:	-223.54
Dipole, Da:	3.8
IP(EA), eV:	-9.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluoro-N-[4-(trifluoromethyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1CC(CC1CC(CC(C(=O)O)N)C(=O)N)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations