Geometry & MOs

Info

ID:	258290
PubChem CID:	103152636
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-106.52
Dipole, Da:	4.76
IP(EA), eV:	-10.21(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(3-phenylprop-2-ynoylamino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations