Geometry & MOs

Info

ID:	429289
PubChem CID:	135169258
Reduced:	N2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	386.221895
ΔH_f, kcal/mol:	75.98
Dipole, Da:	4.27
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-methylpiperidin-4-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-3-yl)quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=C3C=C(C=CC3=NC=C2)C4=CNC5=C4C=CC=N5

DOS

IR

Vibrations