Geometry & MOs

Info

ID:	387504
PubChem CID:	134985617
Reduced:	N4O4C7H8 (1)
Stoich.:	A4B4C7D8 (1)
Weight, g/mol:	298.998556
ΔH_f, kcal/mol:	107.45
Dipole, Da:	7.09
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,4,4-tetranitrobutan-2-yl nitrate

Drug info:

PubChemData

Smile

C1C2[C@@H]([C@@H](C1[C@@H]([C@@H]2N=O)N=O)N=O)N=O

DOS

IR

Vibrations