Geometry & MOs

Info

ID:	344216
PubChem CID:	127267392
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	2.56
IP(EA), eV:	-9.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC(CC1)C2=NOC3=C2C=CC(=C3)F

DOS

IR

Vibrations