Geometry & MOs

Info

ID:	216621
PubChem CID:	85086511
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	286.178024
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	8.37
IP(EA), eV:	-8.68(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(2-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-en-1-ol

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)N3C(=O)C4C=CC(=CC4=NC3=O)N

DOS

IR

Vibrations