Geometry & MOs

Info

ID:	240821
PubChem CID:	93617682
Reduced:	O2F3N3C13H18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-213.05
Dipole, Da:	6.48
IP(EA), eV:	-9.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethoxy-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCC(=O)N2CCC[C@H](C2)C(F)(F)F

DOS

IR

Vibrations