Geometry & MOs

Info

ID:	309105
PubChem CID:	126537237
Reduced:	ClN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	406.05421
ΔH_f, kcal/mol:	67.54
Dipole, Da:	5.9
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(3,4-dihydro-2H-quinolin-1-yl)-2-iodo-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=C(N=N2)Cl)C

DOS

IR

Vibrations