Geometry & MOs

Info

ID:	338004
PubChem CID:	127258627
Reduced:	Cl2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	359.069114
ΔH_f, kcal/mol:	-171.11
Dipole, Da:	2.63
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyl (2S)-4-(2,4-dichlorophenoxy)-2-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CC)CC(CC)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations