Geometry & MOs

Info

ID:	146481
PubChem CID:	53696395
Reduced:	SN2O5C16H28 (1)
Stoich.:	AB2C5D16E28 (1)
Weight, g/mol:	444.298808
ΔH_f, kcal/mol:	-212.68
Dipole, Da:	5.91
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,7-dimethylocta-2,6-dienoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=NNC(=O)OCC)CCCC(=S)CCCC(=O)OCC

DOS

IR

Vibrations