Geometry & MOs

Info

ID:	258391
PubChem CID:	103153397
Reduced:	N2O5C10H18 (1)
Stoich.:	A2B5C10D18 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-222.04
Dipole, Da:	3.3
IP(EA), eV:	-9.5(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanophenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)N1CCOCC1

DOS

IR

Vibrations