Geometry & MOs

Info

ID:	123972
PubChem CID:	50868307
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	452.257612
ΔH_f, kcal/mol:	21.99
Dipole, Da:	7.84
IP(EA), eV:	-8.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(2,2,4-trimethyl-1-propylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=N\NC(=O)CC#N)C(=CC1(C)C)C

DOS

IR

Vibrations