Geometry & MOs

Info

ID:	224564
PubChem CID:	85344851
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	232.167459
ΔH_f, kcal/mol:	51.23
Dipole, Da:	3.47
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethyl-1,3-dioxolan-2-yl)-3-methylhexane-1,2-diol

Drug info:

PubChemData

Smile

C=C1CC2CC1C3C2N3C(=O)C4=CC=CS4

DOS

IR

Vibrations