Geometry & MOs

Info

ID:	80549
PubChem CID:	49835078
Reduced:	O3N6H20C22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	17.77
Dipole, Da:	5.26
IP(EA), eV:	-8.49(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylindol-1-yl)-N-[(E)-(4-methylquinolin-6-yl)methylideneamino]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1N2C3=C4C(=NC=C3NC2=O)C=CC(=N4)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations