Geometry & MOs

Info

ID:	200828
PubChem CID:	79449692
Reduced:	ClFO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	284.154308
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	1.03
IP(EA), eV:	-9.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-heptylpropane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(CO)(CO)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations