Geometry & MOs

Info

ID:	416339
PubChem CID:	135089352
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	358.099667
ΔH_f, kcal/mol:	-186.37
Dipole, Da:	2.93
IP(EA), eV:	-8.12(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O)OC

DOS

IR

Vibrations