Geometry & MOs

Info

ID:	186094
PubChem CID:	77389831
Reduced:	N2O5C29H36 (1)
Stoich.:	A2B5C29D36 (1)
Weight, g/mol:	214.19328
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	3.51
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butoxymethyl)-3-tert-butyloxolane

Drug info:

PubChemData

Smile

CC1C2(CCC(C3C2(CCN1CC4CC4)C5=C(C=CC(=C5O3)O)C)N(C)C(=O)C=CC6=COC=C6)O

DOS

IR

Vibrations