Geometry & MOs

Info

ID:	381519
PubChem CID:	134972282
Reduced:	O3H7C8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	336.20893
ΔH_f, kcal/mol:	-207.71
Dipole, Da:	7.8
IP(EA), eV:	-8.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,6R)-4-methyl-6-phenylmethoxyoct-7-ynoxy]methylbenzene

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=C3[C@H]4CCO[C@H](O4)C(=O)C3=C2O)O

DOS

IR

Vibrations