Geometry & MOs

Info

ID:	402542
PubChem CID:	135056330
Reduced:	ClO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	6.03
IP(EA), eV:	-9.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-octylphenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

C/C(=C/CC1=C2CC[C@]3([C@H]([C@@H]2CCC1=O)CC[C@@H]3OC(=O)C4=CC=CC=C4)C)/Cl

DOS

IR

Vibrations