Geometry & MOs

Info

ID:	390560
PubChem CID:	134999701
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	3.5
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4R)-6-phenylhex-2-ene-1,4-diol

Drug info:

PubChemData

Smile

CCCCCCNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2

DOS

IR

Vibrations