Geometry & MOs

Info

ID:	1027
PubChem CID:	3683
Reduced:	Cl2N2O4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	464.126963
ΔH_f, kcal/mol:	-144.22
Dipole, Da:	7.14
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations