Geometry & MOs

Info

ID:	185578
PubChem CID:	77315662
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-181.27
Dipole, Da:	3.11
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-cyanoethylcarbamoyl)-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)pyrazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CC1CC(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O

DOS

IR

Vibrations