Geometry & MOs

Info

ID:	279665
PubChem CID:	103844607
Reduced:	ClFN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	287.220892
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	3.7
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1CC2=CC(=C(C=C2)C(=O)OC)F)Cl

DOS

IR

Vibrations