Geometry & MOs

Info

ID:	145093
PubChem CID:	53460656
Reduced:	SO3N5C30H37 (1)
Stoich.:	AB3C5D30E37 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	4.47
IP(EA), eV:	-8.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-methoxy-3-methylphenyl)pyrazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=CNNC(=O)CSC2NNC(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C)C1=O

DOS

IR

Vibrations