Geometry & MOs

Info

ID:	68227
PubChem CID:	46508004
Reduced:	F2O2N3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	354.07712
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	2.5
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloroanilino)-2-oxoethyl] 2-quinolin-8-ylacetate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)CCC2=NC=C(O2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations