Geometry & MOs

Info

ID:	403744
PubChem CID:	135061647
Reduced:	FN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	32.14
Dipole, Da:	3.31
IP(EA), eV:	-8.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-nonylpyrrolo[3,2-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)F)C2=CN=C3C(=C2)C=CN3

DOS

IR

Vibrations