Geometry & MOs

Info

ID:	411357
PubChem CID:	135084180
Reduced:	NO3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	3.87
IP(EA), eV:	-9.32(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-butylfuran-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1(O[C@H]2CC=[N+]([C@H]2O1)[O-])C

DOS

IR

Vibrations