Geometry & MOs

Info

ID:	403743
PubChem CID:	135061646
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	241.101526
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	5.78
IP(EA), eV:	-9.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CNC2=NC=CC(=C12)C(C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations