Geometry & MOs

Info

ID:	184903
PubChem CID:	77227139
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	229.050571
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	4.53
IP(EA), eV:	-8.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroacetyl)-5-prop-1-ynylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)O.CC1=C(N=CC=C1)C2=CC=CC=N2

DOS

IR

Vibrations