Geometry & MOs

Info

ID:	137351
PubChem CID:	52194980
Reduced:	F2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	405.322952
ΔH_f, kcal/mol:	-170.54
Dipole, Da:	10.33
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(2S)-4-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]pentan-2-yl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)[C@H](C)NC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations