Geometry & MOs

Info

ID:	154135
PubChem CID:	56313530
Reduced:	FO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	348.163791
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	4.6
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-quinolin-8-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NCC(C)(C)C4=CC=CC=C4F)C

DOS

IR

Vibrations