Geometry & MOs

Info

ID:	258392
PubChem CID:	103153400
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	297.096085
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	9.73
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(3-nitrophenyl)carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=CC=C(C=C1)C#N

DOS

IR

Vibrations