Geometry & MOs

Info

ID:	386490
PubChem CID:	134981919
Reduced:	O2C13H14 (3)
Stoich.:	A2B13C14 (3)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	3.36
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyldodec-1-en-4-yl acetate

Drug info:

PubChemData

Smile

COC(=C)CO[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations