Geometry & MOs

Info

ID:	148180
PubChem CID:	53787842
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	46.39
Dipole, Da:	1.06
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]benzoate

Drug info:

PubChemData

Smile

CCN(CC)C(CC1=NC=C(C=C1)C#CC2=CC=CS2)O

DOS

IR

Vibrations