Geometry & MOs

Info

ID:	220527
PubChem CID:	85197659
Reduced:	PO8C12H21 (1)
Stoich.:	AB8C12D21 (1)
Weight, g/mol:	324.095751
ΔH_f, kcal/mol:	-418.65
Dipole, Da:	1.87
IP(EA), eV:	-9.97(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-yl)propan-2-yl 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

CC(C)OP1(=O)CC(OC(C1O)COC(=O)C)OC(=O)C

DOS

IR

Vibrations