Geometry & MOs

Info

ID:	122643
PubChem CID:	50815748
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	4.39
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C(=O)C1=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations