Geometry & MOs

Info

ID:	3806
PubChem CID:	10234
Reduced:	N2O6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	9.1
IP(EA), eV:	-10.34(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations