Geometry & MOs

Info

ID:	38201
PubChem CID:	8027960
Reduced:	O2F3N4H15C18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	403.223297
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	8.5
IP(EA), eV:	-9.48(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations