Geometry & MOs

Info

ID:	219357
PubChem CID:	85147162
Reduced:	ClON5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	393.170686
ΔH_f, kcal/mol:	63.88
Dipole, Da:	3.8
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(4-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)NC2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=NC5C=CC=CC5=N4

DOS

IR

Vibrations