Geometry & MOs

Info

ID:	187566
PubChem CID:	77592745
Reduced:	N2O4H11C12 (2)
Stoich.:	A2B4C11D12 (2)
Weight, g/mol:	256.105922
ΔH_f, kcal/mol:	-181.71
Dipole, Da:	4.79
IP(EA), eV:	-9.51(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-[2-(prop-2-enoxycarbonylamino)pyrrolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)NCCO)OC(=O)C

DOS

IR

Vibrations