Geometry & MOs

Info

ID:	407142
PubChem CID:	135079406
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	336.20893
ΔH_f, kcal/mol:	-182.94
Dipole, Da:	3.04
IP(EA), eV:	-8.45(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-2,4-dimethyl-3-phenylmethoxyhept-5-ynoxy]methylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=C)(C/C=C/C1=CC=C(C=C1)OC)C(=O)OCC

DOS

IR

Vibrations