Geometry & MOs

Info

ID:	383382
PubChem CID:	134975074
Reduced:	PO3C7H11 (2)
Stoich.:	AB3C7D11 (2)
Weight, g/mol:	388.26136
ΔH_f, kcal/mol:	-299.77
Dipole, Da:	1.81
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(2S,5R)-5-[(2R)-4-methyl-2-phenylmethoxypentyl]oxolan-2-yl]pent-4-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)CP(OC)OC)CP(OC)OC

DOS

IR

Vibrations