Geometry & MOs

Info

ID:	344253
PubChem CID:	127267429
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	298.092912
ΔH_f, kcal/mol:	-113.65
Dipole, Da:	1.44
IP(EA), eV:	-9.48(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CN(CC2=CC=CC=C12)C(=O)C=C

DOS

IR

Vibrations