Geometry & MOs

Info

ID:	184904
PubChem CID:	77227140
Reduced:	ClNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	8.71
IP(EA), eV:	-10.16(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-chloroacetyl)-5-prop-1-ynylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC#CC1CCC(N1C(=O)CCl)C(=O)O

DOS

IR

Vibrations