Geometry & MOs

Info

ID:	48671
PubChem CID:	11110412
Reduced:	O2F3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-204.36
Dipole, Da:	3.88
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4S,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]hept-6-en-2-ol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=CC=CC=C31)C(C)(C)OC(=O)C(F)(F)F

DOS

IR

Vibrations