Geometry & MOs

Info

ID:	343413
PubChem CID:	127266586
Reduced:	N3O3F4H13C14 (1)
Stoich.:	A3B3C4D13E14 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-242.84
Dipole, Da:	3.76
IP(EA), eV:	-10.13(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-cyanobutan-2-yl)-2-(oxolan-2-ylmethylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

CCN(CC(C(F)(F)F)O)C(=O)C1=NOC(=N1)C2=CC=C(C=C2)F

DOS

IR

Vibrations