Geometry & MOs

Info

ID:	429336
PubChem CID:	135169305
Reduced:	FN5C28H30 (1)
Stoich.:	AB5C28D30 (1)
Weight, g/mol:	411.242296
ΔH_f, kcal/mol:	79.38
Dipole, Da:	8.29
IP(EA), eV:	-8.38(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[3-[8-methyl-4-(3-methylpiperidin-1-yl)quinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethenamine

Drug info:

PubChemData

Smile

CN=CCCNC(=C)C1=CC2=C(CC=C2C3=CC4=C(C=CN=C4C(=C3)F)N5CCCCC5)N=C1

DOS

IR

Vibrations