Geometry & MOs

Info

ID:	429304
PubChem CID:	135169273
Reduced:	N2H12C13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	104.71
Dipole, Da:	4.92
IP(EA), eV:	-8.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-yl]piperidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)C3=CN=CC=C3)C4=CNC5=C4C=C(C=C5)CCCN

DOS

IR

Vibrations