Geometry & MOs

Info

ID:	339142
PubChem CID:	127260521
Reduced:	N3O4H9C12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	8.27
Dipole, Da:	8.01
IP(EA), eV:	-9.61(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoyl (2S)-4-hept-1-ynylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CO2)[N+](=O)[O-]

DOS

IR

Vibrations