Geometry & MOs

Info

ID:	232166
PubChem CID:	87575635
Reduced:	NP2O6C8H19 (1)
Stoich.:	AB2C6D8E19 (1)
Weight, g/mol:	358.043715
ΔH_f, kcal/mol:	-398.36
Dipole, Da:	5.24
IP(EA), eV:	-10.25(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-nitrophenyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(N)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations