Geometry & MOs

Info

ID:	181940
PubChem CID:	76816572
Reduced:	O3N4C22H37 (2)
Stoich.:	A3B4C22D37 (2)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-328.69
Dipole, Da:	10.96
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-ethyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CC1=CN=CN1)C(=O)CC(C)C(=O)NC(C(C)C)C(=O)CC(CC2=CN=CN2)C(=O)NC

DOS

IR

Vibrations