Geometry & MOs

Info

ID:	429311
PubChem CID:	135169280
Reduced:	ON4H24C26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	396.231397
ΔH_f, kcal/mol:	108.99
Dipole, Da:	2.84
IP(EA), eV:	-8.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-N-propyl-1-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-4-yl]hepta-4,6-dien-2-amine

Drug info:

PubChemData

Smile

C=CC1C2C13CCN3C(C2)[C@@H](C4=C5C=C(C=CC5=NC=C4)C6=CNC7=C6C=CC=N7)O

DOS

IR

Vibrations