Geometry & MOs

Info

ID:	51563
PubChem CID:	12014255
Reduced:	O3C27H38 (1)
Stoich.:	A3B27C38 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-74.61
Dipole, Da:	2.77
IP(EA), eV:	-9.43(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4Z,8S)-8-phenylmethoxycyclooct-4-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1[C@H](OC)O[C@H](CCC=C)[C@H](CCC=C)OCC3=CC=CC=C3)C=C2

DOS

IR

Vibrations