Geometry & MOs

Info

ID:	440193
PubChem CID:	135230103
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	6.47
IP(EA), eV:	-9.56(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC1C2CC3C2CC(C3)(CC1NCC(=O)N4CCC[C@H]4C#N)O

DOS

IR

Vibrations