Geometry & MOs

Info

ID:	390691
PubChem CID:	135000384
Reduced:	BO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-224.59
Dipole, Da:	4.04
IP(EA), eV:	-9.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4E)-2-methyl-4-phenylhepta-4,6-dien-3-ol

Drug info:

PubChemData

Smile

B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)C(C)/C(=C\C4=CC=CC=C4)/C(=O)OCC

DOS

IR

Vibrations