Geometry & MOs

Info

ID:	259180
PubChem CID:	103158506
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	298.132885
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	4.3
IP(EA), eV:	-9.28(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CN2CCOC(C2)C#N)O

DOS

IR

Vibrations