Geometry & MOs

Info

ID:	312920
PubChem CID:	126609954
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	-148.62
Dipole, Da:	3.26
IP(EA), eV:	-8.74(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butane-1,2-diol

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C1=CC(=CC=C1)OCC2CCCCCC2)O)O

DOS

IR

Vibrations