Geometry & MOs

Info

ID:	141831
PubChem CID:	52935468
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	415.142008
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	8.03
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)N

DOS

IR

Vibrations