Geometry & MOs

Info

ID:	177100
PubChem CID:	76135366
Reduced:	NOC8H12 (4)
Stoich.:	ABC8D12 (4)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	4.41
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2,6-dimethoxyphenyl)pyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(=CC(=N1)CN(CC)CC)C#CC2=CC=C(C=C2)OCC(=O)NCCCCC(C)COO

DOS

IR

Vibrations