Geometry & MOs

Info

ID:	438367
PubChem CID:	135228103
Reduced:	FN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	220.113316
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	2.9
IP(EA), eV:	-8.63(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butoxysulfanylcyclopropyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CCN(CCF)NC1=C(C=CC=C1C)C

DOS

IR

Vibrations