Geometry & MOs

Info

ID:	189638
PubChem CID:	77884414
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	367.254501
ΔH_f, kcal/mol:	-251.62
Dipole, Da:	6.9
IP(EA), eV:	-9.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-hydroxy-3-(10-hydroxydec-1-enyl)thiolan-2-yl]heptanenitrile

Drug info:

PubChemData

Smile

COC1CC(C(C(O1)COCC2=CC=CC=C2)CC(=O)O)O

DOS

IR

Vibrations