Geometry & MOs

Info

ID:	5783
PubChem CID:	13783
Reduced:	N2O7C14H18 (1)
Stoich.:	A2B7C14D18 (1)
Weight, g/mol:	326.111401
ΔH_f, kcal/mol:	-136.21
Dipole, Da:	7.55
IP(EA), eV:	-10.64(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate

Drug info:

PubChemData

Smile

CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C

DOS

IR

Vibrations