Geometry & MOs

Info

ID:	224825
PubChem CID:	85421198
Reduced:	PN2O6C15H25 (1)
Stoich.:	AB2C6D15E25 (1)
Weight, g/mol:	421.246438
ΔH_f, kcal/mol:	-317.13
Dipole, Da:	5.3
IP(EA), eV:	-9.95(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[5-[5-(4-ethoxyphenyl)penta-2,4-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(methoxymethoxy)propan-1-ol

Drug info:

PubChemData

Smile

CCOP(=O)(C(=C=C(C)CN1CCC(=O)NC1=O)CCO)OCC

DOS

IR

Vibrations