Geometry & MOs

Info

ID:	137906
PubChem CID:	52281923
Reduced:	FO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	354.113506
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	1.51
IP(EA), eV:	-8.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-2,6-dimethylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O

DOS

IR

Vibrations