Geometry & MOs

Info

ID:	312919
PubChem CID:	126609946
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-63.54
Dipole, Da:	2.11
IP(EA), eV:	-8.65(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=CC(=CC=C1)OCC2CCCC2

DOS

IR

Vibrations