Geometry & MOs

Info

ID:	265575
PubChem CID:	103531266
Reduced:	NO5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-232.82
Dipole, Da:	5.96
IP(EA), eV:	-9.56(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3,4-dimethoxypyrrolidin-1-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C(=O)C2CCCCC2C(=O)O

DOS

IR

Vibrations